SCHEMBL4294738

SCHEMBL4294738

N#CC(F)(F)c1cc2ccncc2c2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.40
CHUK O15111 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
HIPK2 Q9H2X6 1/20 0.32
KIT P10721 1/20 0.32
NT5E P21589 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PLAU P00749 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL4297665 0.76 NCOA3 (0.68) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL4300826 0.74
SCHEMBL4292177 0.73 CSNK2A1 (0.43) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL13659628 0.71 CHEK1 (0.52) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL13659615 0.71 NCOA3 (0.40) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL28455526 0.70 HIPK2 (0.53) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL4297677 0.68 CCNT1 (0.40) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL4296233 0.68 CHEK1 (0.47) NCOA3CHUKKDM4EHTTPOLB
SCHEMBL4302560 0.67 RXFP1 (0.64) KDM4EHTTPOLBHIPK2
SCHEMBL4292438 0.65 NCOA3 (0.59) NCOA3CHUKHTTHIPK2KIT

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 NCOA3 858/4885CHUK 152/4885KDM4E 366/4885

“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.