SCHEMBL408643

SCHEMBL408643

CC(C)(C)OC(=O)Nc1nccc2[nH]cc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
CYP17A1 P05093 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
NAMPT P43490 1/20 0.34
METAP1 P53582 1/20 0.34
SSTR3 P32745 1/20 0.34
SYK P43405 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL13759612 0.86 ATR (0.41) ATRCYP17A1MEN1KMT2AMAPT
SCHEMBL17208093 0.81 BTK (0.44) CA1CA2
SCHEMBL13759610 0.79 MET (0.40) ATRCYP17A1SYK
SCHEMBL408642 0.76 SCN9A (0.44) NPC1RAB9ASSTR3
SCHEMBL31128820 0.76 ATR (0.41) ATRCYP17A1MEN1KMT2ANPC1
SCHEMBL13759613 0.75 ATR (0.42) ATRCYP17A1MEN1KMT2AMAPT
SCHEMBL13667390 0.75 ATR (0.42) ATRCYP17A1MAPTMAPK1NAMPT
SCHEMBL31358179 0.75 ATR (0.44) ATRCYP17A1MEN1KMT2ANPC1
SCHEMBL29476654 0.74 METAP1 (0.46) ATRCYP17A1MEN1KMT2ANPC1
SCHEMBL623831 0.74 METAP1 (0.46) ATRCYP17A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-9795605-B2 Inhibitors of Bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2017-10-24 US disclosed
US-9795605-B2 Inhibitors of Bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2017-10-24 US disclosed
EP-2307025-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC (US) 2017-09-20 EP disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 US disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 US disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 WO 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
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-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 (6 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 ATR 499/4885CYP17A1 4438/4885MEN1 3613/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN ATR 144/4885CYP17A1 3608/4885MEN1 2563/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 ATR 499/4885CYP17A1 4438/4885MEN1 3613/4885
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 ATR 146/4885CYP17A1 4606/4885MEN1 4689/4885
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 ATR 166/4885CYP17A1 4550/4885MEN1 4709/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN ATR 144/4885CYP17A1 3608/4885MEN1 2563/4885

“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.