SCHEMBL4296237

SCHEMBL4296237

O=Cc1cc2ccncc2c2cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHUK O15111 1/20 0.39
HIPK2 Q9H2X6 2/20 0.38
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
PTPN1 P18031 1/20 0.37
CYP2A6 P11509 2/20 0.36
CSNK2A2 P19784 4/20 0.35
CSNK2B P67870 4/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
CSNK2A1 P68400 1/20 0.34
TDO2 P48775 2/20 0.34

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
SCHEMBL4297677 0.82 CCNT1 (0.40) CCNT1CDK9HASPINCHUKHIPK2
SCHEMBL25300859 0.81 CCNT1 (0.44) CCNT1CDK9HASPINTDP1CHUK
SCHEMBL30068508 0.81 CCNT1 (0.44) CCNT1CDK9HASPINTDP1CHUK
SCHEMBL13659556 0.81 KDM4E (0.57) CCNT1CDK9HASPINHIPK2ERN1
SCHEMBL13659605 0.79 NCOA3 (0.40) CHUKHIPK2KDM4EHTTPOLB
SCHEMBL4294298 0.75 KDM4E (0.51) HIPK2KDM4EHTTCSNK2A2CSNK2B
SCHEMBL4298982 0.75 CHUK (0.49) CHUKHIPK2KDM4EHTTPOLB
SCHEMBL4300946 0.73 NCOA3 (0.68) CCNT1CDK9HASPINCHUKHIPK2
SCHEMBL4295258 0.73 KDM4E (0.41) HASPINCHUKHIPK2KDM4EHTT
SCHEMBL29889838 0.72 CCNT1 (0.45) CCNT1CDK9HASPINHIPK2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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 (1 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A CCNT1 227/4885CDK9 14/4885HASPIN 1155/4885

“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.