SCHEMBL2618362

SCHEMBL2618362

N#Cc1c(-c2ccc(Oc3ccccc3)cc2)c[nH]c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERBB2 P04626 1/20 0.43
GSTP1 P09211 1/20 0.42
GRM2 Q14416 2/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 1/20 0.39
BTK Q06187 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236169 0.86 ADORA1 (0.47) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL7026138 0.83 AS3MT (0.54) CYP1A2CYP2C19L3MBTL1GSTP1GRM2
SCHEMBL18269174 0.82 ADORA1 (0.35) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL22283897 0.82 ADORA1 (0.51) MEN1ALDH1A1KMT2ACYP1A2NPC1
SCHEMBL25714787 0.79 KDM4E (0.37) MEN1ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL28301867 0.77 ERBB2 (0.43) MEN1ALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL3783457 0.76 KDM4E (0.48) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL15214839 0.76 NPSR1 (0.33) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL1905542 0.76 ADORA1 (0.46) MEN1ALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL27423329 0.76 ADORA1 (0.46) MEN1ALDH1A1KMT2AMAPTADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 US disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US disclosed
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 US disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 US disclosed
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
EP-3311818-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS Pharmacyclics, LLC (US) 2018-04-25 EP disclosed
US-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 US disclosed
US-7825118-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-11-02 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 US disclosed
US-7732454-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-06-08 US disclosed
WO-2010009342-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2010-01-21 WO disclosed
WO-2008121742-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-10-09 WO disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 MEN1 3613/4885ALDH1A1 4117/4885KMT2A 890/4885
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 MEN1 3613/4885ALDH1A1 4117/4885KMT2A 890/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN MEN1 2563/4885ALDH1A1 4521/4885KMT2A 501/4885
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 MEN1 2759/4885ALDH1A1 594/4885KMT2A 1120/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN MEN1 3804/4885ALDH1A1 4459/4885KMT2A 1124/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN MEN1 2563/4885ALDH1A1 4521/4885KMT2A 501/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN MEN1 3804/4885ALDH1A1 4459/4885KMT2A 1124/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 MEN1 3613/4885ALDH1A1 4117/4885KMT2A 890/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN MEN1 3804/4885ALDH1A1 4459/4885KMT2A 1124/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN MEN1 4689/4885ALDH1A1 3498/4885KMT2A 1278/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 MEN1 3479/4885ALDH1A1 4019/4885KMT2A 781/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN MEN1 4709/4885ALDH1A1 3500/4885KMT2A 1393/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN MEN1 2563/4885ALDH1A1 4521/4885KMT2A 501/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 MEN1 2668/4885ALDH1A1 534/4885KMT2A 1125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.