SCHEMBL12749129

SCHEMBL12749129

CC(=O)c1cnc(Cl)nc1Nc1cccc2c1C(=O)N(CCF)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 3/20 0.38
MCL1 Q07820 1/20 0.38
KMT2A Q03164 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL12749337 0.88 PARP1 (0.39) ALDH1A1SMN1; SMN2PARP1PARP2HTT
SCHEMBL22866097 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2PARP1PARP2HTT
SCHEMBL29607741 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2PARP1PARP2HTT
SCHEMBL12749409 0.79 PARP1 (0.38) ALDH1A1PARP1PARP2HTTLMNA
SCHEMBL12749379 0.79 PTK2 (0.38)
SCHEMBL1613374 0.79 PTK2 (0.52)
SCHEMBL375361 0.76 CCNA2 (0.37) PARP1PARP2HTTLMNA
SCHEMBL1612341 0.73 PTK2 (0.50)
SCHEMBL375741 0.73 LRRK2 (0.44) PARP1MAPK1
SCHEMBL12336995 0.71 PTK2 (0.41) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALDH1A1 971/4885SMN1; SMN2 2348/4885PARP1 125/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALDH1A1 971/4885SMN1; SMN2 2348/4885PARP1 125/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALDH1A1 971/4885SMN1; SMN2 2348/4885PARP1 125/4885

“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.