SCHEMBL180217

SCHEMBL180217

c1ccc(-c2cc3cncnc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
RIPK1 Q13546 6/20 0.47
BRD4 O60885 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CSF1R P07333 1/20 0.46
MASP2 O00187 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
KIT P10721 1/20 0.43
EGFR P00533 1/20 0.43
PIK3CG P48736 1/20 0.42
PDK1 Q15118 1/20 0.42

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
SCHEMBL28868920 0.84 ADORA2A (0.48) GSK3BRIPK1BRD4NPC1RAB9A
SCHEMBL28323721 0.83 CCNB2 (0.51) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL17065183 0.83 KIT (0.55) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL7230038 0.82 RIPK1 (0.52) RIPK1CSF1REGFRPDK1
SCHEMBL24541993 0.79 PDK1 (0.42) RIPK1CSF1REGFRPDK1
SCHEMBL30110791 0.79 PRMT5 (0.53) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL27412769 0.79 CCNB2 (0.54) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL4796192 0.78 NSD3 (0.49) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL1772615 0.78 RIPK1 (0.54) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL31308645 0.78 KIT (0.47) CCNB2CDK1CCNB1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896730-B2 Use of EMT gene signatures in cancer drug discovery, diagnostics, and treatment OSI Pharmaceuticals, LLC (US) 2018-02-20 US disclosed
EP-2702173-A1 USE OF EMT GENE SIGNATURES IN CANCER DRUG DISCOVERY, DIAGNOSTICS, AND TREATMENT OSI Pharmaceuticals, LLC (US) 2014-03-05 EP disclosed
US-20140057352-A1 METHODS FOR THE IDENTIFICATION OF AGENTS THAT INHIBIT MESENCHYMAL-LIKE TUMOR CELLS OR THEIR FORMATION OSI PHARMACEUTICALS LLC (US) 2014-02-27 US disclosed
US-8642834-B2 Methods for the identification of agents that inhibit mesenchymal-like tumor cells or their formation OSI Pharmaceuticals, LLC (US) 2014-02-04 US disclosed
WO-2013152252-A1 COMBINATION ANTI-CANCER THERAPY OSI Pharmaceuticals, LLC (US) 2013-10-10 WO disclosed
US-20130210026-A1 BIOLOGICAL MARKERS PREDICTIVE OF ANTI-CANCER RESPONSE TO KINASE INHIBITORS OSI Pharmaceuticals, LLC 2013-08-15 US disclosed
US-8465912-B2 Methods for the identification of agents that inhibit mesenchymal-like tumor cells or their formation OSI Pharmaceuticals, LLC (US) 2013-06-18 US disclosed
US-8377636-B2 Biological markers predictive of anti-cancer response to kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120302572-A1 USE OF EMT GENE SIGNATURES IN CANCER DRUG DISCOVERY, DIAGNOSTICS, AND TREATMENT AVEO PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
WO-2012149014-A1 USE OF EMT GENE SIGNATURES IN CANCER DRUG DISCOVERY, DIAGNOSTICS, AND TREATMENT OSI Pharmaceuticals, LLC (US) 2012-11-01 WO disclosed
EP-2134860-A1 BIOLOGICAL MARKERS PREDICTIVE OF ANTI-CANCER RESPONSE TO KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090263397-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009111067-A2 METHODS FOR THE IDENTIFICATION OF AGENTS THAT INHIBIT MESENCHYMAL -LIKE TUMOR CELLS OR THEIR FORMATION OSI PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed
US-20090226396-A1 Methods for the identification of agents that inhibit mesenchymal-like tumor cells or their formation HALEY JOHN D 2009-09-10 US disclosed
WO-2009009016-A1 COMBINATION ANTI-CANCER THERAPY OSI PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 WO disclosed
US-20080312260-A1 Biological markers predictive of anti-cancer response to kinase inhibitors HALEY JOHN D 2008-12-18 US disclosed
WO-2008127719-A1 BIOLOGICAL MARKERS PREDICTIVE OF ANTI-CANCER RESPONSE TO KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2008-10-23 WO disclosed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 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 (3 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-20090263397-A1 Combination anti-cancer therapy IGF1R, IGFBP6, IGFBP1 CCNB2 1040/4885CDK1 154/4885CCNB1 246/4885
US-20120302572-A1 USE OF EMT GENE SIGNATURES IN CANCER DRUG DISCOVERY, DIAGNOSTICS, AND TREATMENT IGF1R, IGFBP1, EGFR CCNB2 2589/4885CDK1 1066/4885CCNB1 2408/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 CCNB2 1493/4885CDK1 126/4885CCNB1 988/4885

“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.