SCHEMBL1613016

SCHEMBL1613016

Nc1cccc2c1c(=O)[nH]c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 6/20 0.57
GPR3 P46089 2/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
TNKS O95271 1/20 0.57
CYP1A2 P05177 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
PARP15 Q460N3 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
AURKA O14965 1/20 0.50
CHEK1 O14757 2/20 0.49

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
SCHEMBL9614337 0.82 POLB (0.60) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL3420569 0.78 POLB (0.64) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL29519421 0.78 POLB (0.64) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL30891741 0.78 PARP1 (0.57) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL22866497 0.78 PARP1 (0.57) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL13802973 0.78 PARP1 (0.57) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL3433644 0.76 IMPDH2 (0.59) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL30678031 0.76 IMPDH2 (0.59) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL14924257 0.76 PARP1 (0.56) PARP1ALDH1A1KDM4EGPR3HSD17B10
SCHEMBL6621395 0.75 GRIN2D (0.58) PARP1ALDH1A1KDM4EGPR3HSD17B10

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
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PARP1 125/4885ALDH1A1 971/4885KDM4E 1758/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PARP1 125/4885ALDH1A1 971/4885KDM4E 1758/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PARP1 125/4885ALDH1A1 971/4885KDM4E 1758/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PARP1 125/4885ALDH1A1 971/4885KDM4E 1758/4885

“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.