SCHEMBL1848158

SCHEMBL1848158

N#Cc1ccc(N)c(Br)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.36
NQO1 P15559 1/20 0.34
CDC7 O00311 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3628030 0.77 SOS2 (0.38) SOS2NQO1MAPK1L3MBTL1
SCHEMBL3915592 0.77 EGLN2 (0.41) SOS2NQO1CDC7EGLN2ADORA2A
SCHEMBL10268214 0.74 SOS2 (0.48) SOS2NQO1MEN1KMT2AMAPK1
SCHEMBL1449669 0.74 EGLN2 (0.43) SOS2NQO1CDC7EGLN2ADORA2A
SCHEMBL30955922 0.74 SOS2 (0.36) SOS2NQO1CDC7EGLN2
SCHEMBL23795443 0.74 SOS2 (0.36) SOS2NQO1CDC7EGLN2KMT2A
SCHEMBL16914426 0.74 HTT (0.42) SOS2NQO1CDC7EGLN2ADORA2A
SCHEMBL25268051 0.74 KHK (0.36) SOS2NQO1CDC7EGLN2ADORA2A
SCHEMBL1311117 0.74 SOS2 (0.36) SOS2NQO1CDC7EGLN2
SCHEMBL2981097 0.74 NQO1 (0.38) SOS2NQO1EGLN2MEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-12-24 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
WO-2014078378-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
EP-2324024-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
CN-102119162-A Diazacarbazoles and methods of use GENENTECH INC 2011-07-06 CN disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
EP-2324024-A1 DIAZACARBAZOLES AND METHODS OF USE Genentech, Inc. (US) 2011-05-25 EP disclosed
CN-101948425-A As the compound of glucocorticoid ligands, the pharmaceutical composition that comprises them, test kit and preparation method thereof BOEHRINGER INGELHEIM PHARMA 2011-01-19 CN disclosed
CN-1976705-B 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2,3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA 2010-09-22 CN disclosed
WO-2009151589-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
CN-1976705-A 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2, 3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA (US) 2007-06-06 CN disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO 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 (4 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP SOS2 4655/4885NQO1 4045/4885CDC7 247/4885
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R SOS2 4101/4885NQO1 3742/4885CDC7 2053/4885
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SOS2 1606/4885NQO1 1427/4885CDC7 15/4885
US-20150368244-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SOS2 1606/4885NQO1 1427/4885CDC7 15/4885

“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.