SCHEMBL678622

SCHEMBL678622

O=Cc1ccc2[nH]c3ncccc3c2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.61
CHEK1 O14757 1/20 0.49
KMT2A Q03164 2/20 0.47
PARP1 P09874 3/20 0.46
AURKA O14965 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.43
TTK P33981 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
FEN1 P39748 1/20 0.39
ALK Q9UM73 1/20 0.38

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
SCHEMBL679342 0.79 TLR4 (0.51) CHEK1MAPT
SCHEMBL4961130 0.79 CHEK1 (0.50) CHEK1KMT2APARP1AURKAMEN1
SCHEMBL7046933 0.78 KIF11 (0.39) KIF11CHEK1KMT2APARP1AURKA
Benzene SCHEMBL28184721 0.77 KIF11 (0.81) KIF11KMT2AMEN1MAPTTTK
SCHEMBL6299735 0.77 KIF11 (0.81) KIF11KMT2AMEN1MAPT
SCHEMBL675117 0.77 KIF11 (0.51) KIF11CHEK1AURKAMAPTALK
SCHEMBL29823607 0.76 KIF11 (1.00) KIF11KMT2APARP1MEN1MAPT
SCHEMBL2775335 0.76 KIF11 (1.00) KIF11KMT2APARP1MEN1MAPT
SCHEMBL676054 0.76 AURKA (0.49) KIF11AURKAALK
SCHEMBL4428308 0.76 KIF11 (0.50) KIF11KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed
EP-1896472-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-03-12 EP disclosed
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
WO-2006131552-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-14 WO disclosed
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds SUGEN, INC. 2003-10-30 US disclosed
US-6514981-B1 By contacting cells expressing said protein tyrosine kinase with compound SUGEN, INC. 2003-02-04 US disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 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 (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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 KIF11 2832/4885CHEK1 1744/4885KMT2A 492/4885
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds LCK, ABL1, PNCK KIF11 3404/4885CHEK1 598/4885KMT2A 1912/4885
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 KIF11 1023/4885CHEK1 75/4885KMT2A 245/4885

“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.