SCHEMBL2986157

SCHEMBL2986157

CC(C)Oc1ccnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 4/20 0.50
PRKCI P41743 4/20 0.49
AXL P30530 1/20 0.49
AURKB Q96GD4 3/20 0.47
ROCK1 Q13464 3/20 0.47
CDK9 P50750 2/20 0.47
CDK5 Q00535 2/20 0.47
IKBKB O14920 2/20 0.47
CHUK O15111 2/20 0.47
PRKD3 O94806 2/20 0.47
PAK4 O96013 2/20 0.47
PRKACA P17612 2/20 0.47
LTK P29376 2/20 0.47
GRK5 P34947 2/20 0.47
CDK8 P49336 2/20 0.47
CLK2 P49760 2/20 0.47
CDK7 P50613 2/20 0.47
RPS6KA3 P51812 2/20 0.47
PRKX P51817 2/20 0.47
PRKCQ Q04759 2/20 0.47

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
SCHEMBL12605526 0.83 PRKCI (0.49) CITPRKCIAXLAURKBROCK1
SCHEMBL10125438 0.81 AURKB (0.54) CITPRKCIAURKBROCK1CDK9
SCHEMBL298491 0.80 BRD4 (0.60) CITPRKCIAXLAURKBROCK1
SCHEMBL29424797 0.80 BRD4 (0.60) CITPRKCIAXLAURKBROCK1
SCHEMBL857001 0.79 CIT (0.64) CITAURKBROCK1CDK9CDK5
SCHEMBL23021726 0.77 PRKCI (0.50) CITPRKCIAXLAURKBROCK1
SCHEMBL31541393 0.77 PRKCI (0.50) CITPRKCIAXLAURKBROCK1
SCHEMBL31541439 0.77 PRKCI (0.50) CITPRKCIAXLAURKBROCK1
SCHEMBL2992617 0.77 NUDT1 (0.55) CITPRKCIAXLAURKBROCK1
SCHEMBL3721979 0.76 TTBK1 (0.47) PRKCIAXLJAK2FGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096761-A1 SUBSTITUTED PYROOLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES Confluence Life Sciences, Inc. (US) 2016-11-30 EP disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 US disclosed
CN-105934248-A Substituted pyrrolopyridines and pyrrolopyrazines for the treatment of cancer or inflammatory diseases 融合生命科学公司 2016-09-07 CN disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 US disclosed
WO-2015112854-A1 SUBSTITUTED PYROOLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES CONFLUENCE LIFE SCIENCES, INC. (US) 2015-07-30 WO disclosed
WO-2015112854-A1 SUBSTITUTED PYROOLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES CONFLUENCE LIFE SCIENCES, INC. (US) 2015-07-30 WO disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
CN-101321752-A 3-amino-2-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (CH) 2008-12-10 CN disclosed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES TPMT, MALT1, IRAK4 CIT 3873/4885PRKCI 1492/4885AXL 4400/4885
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof CNKSR1, AR, CYP3A43 CIT 2177/4885PRKCI 4443/4885AXL 2555/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 CIT 2177/4885PRKCI 4443/4885AXL 2555/4885

“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.