SCHEMBL410225

SCHEMBL410225

NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.39
MAOA P21397 1/20 0.38
LTA4H P09960 4/20 0.37
PARP10 Q53GL7 1/20 0.37
PLA2G2A P14555 1/20 0.37
TSHR P16473 1/20 0.36
SCN4A P35499 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
Hydrochloric Acid SCHEMBL17895944 0.98 SRD5A2 (0.38) SRD5A2MAOALTA4HPARP10PLA2G2A
SCHEMBL2462519 0.85 DPP4 (0.38) TSHRSCN4A
Hydrochloric Acid SCHEMBL4143072 0.84 DPP4 (0.37) SCN4A
SCHEMBL410107 0.82 SRD5A2 (0.49) SRD5A2LTA4HTSHR
SCHEMBL11478181 0.76 LTA4H (0.57) SRD5A2MAOALTA4HPARP10PLA2G2A
SCHEMBL1129496 0.75 SRD5A2 (0.34) SRD5A2TSHR
Formamide SCHEMBL1129203 0.75 SRD5A2 (0.32) SRD5A2TSHR
SCHEMBL2459328 0.74 KMT2A (0.52) MAOATSHR
SCHEMBL1128837 0.73 NSD2 (0.38) SRD5A2LTA4HOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2463286 0.73 KMT2A (0.51) MAOATSHR

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 122 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
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-20170362243-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 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
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-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US 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-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
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 (12 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 SRD5A2 4462/4885MAOA 3025/4885LTA4H 4435/4885
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 SRD5A2 4462/4885MAOA 3025/4885LTA4H 4435/4885
US-20170362243-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS BTK, ABL1, SYK SRD5A2 3043/4885MAOA 3769/4885LTA4H 2116/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRD5A2 4145/4885MAOA 4062/4885LTA4H 3308/4885
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 SRD5A2 2425/4885MAOA 4159/4885LTA4H 3276/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 SRD5A2 671/4885MAOA 1987/4885LTA4H 4152/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRD5A2 4145/4885MAOA 4062/4885LTA4H 3308/4885
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 SRD5A2 3688/4885MAOA 3131/4885LTA4H 772/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 SRD5A2 4607/4885MAOA 3150/4885LTA4H 4416/4885
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 SRD5A2 3604/4885MAOA 3115/4885LTA4H 808/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRD5A2 4145/4885MAOA 4062/4885LTA4H 3308/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 SRD5A2 2410/4885MAOA 4126/4885LTA4H 3214/4885

“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.