SCHEMBL1612002

SCHEMBL1612002

COC(=O)C(Cc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
POLB P06746 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL1613373 0.89 L3MBTL1 (0.56) CA1CA2L3MBTL1
SCHEMBL28602202 0.83 ALDH1A1 (0.54) ATMPOLBGAARAB9AALDH1A1
SCHEMBL27695345 0.80 ALDH1A1 (0.50) POLBGAARAB9AALDH1A1CYP2C19
SCHEMBL30272415 0.78 ATM (0.58) ATMPOLBGAARAB9AALDH1A1
SCHEMBL20023220 0.76 SMN1; SMN2 (0.39) POLBCA12CA1CA2CA9
SCHEMBL28604598 0.76 RAB9A (0.70) ATMCA2GAARAB9AALDH1A1
SCHEMBL28609758 0.76 ALDH1A1 (0.61) GAARAB9AALDH1A1LMNAGLA
SCHEMBL5276860 0.76 ALDH1A1 (0.50) ATMPOLBCA12CA2CA9
SCHEMBL5276866 0.76 ALDH1A1 (0.50) ATMPOLBCA12CA2CA9
SCHEMBL297398 0.75 ATM (0.61) ATMPOLBGAARAB9AALDH1A1

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 8 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-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-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 ATM 1524/4885POLB 175/4885CA12 4884/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ATM 1524/4885POLB 175/4885CA12 4884/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ATM 1524/4885POLB 175/4885CA12 4884/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ATM 1524/4885POLB 175/4885CA12 4884/4885

“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.