SCHEMBL4292177

SCHEMBL4292177

N#CCc1cc2ccncc2c2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.43
NCOA3 Q9Y6Q9 1/20 0.41
TNF P01375 1/20 0.40
CHEK1 O14757 2/20 0.38
CHUK O15111 1/20 0.36
HTT P42858 4/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
HIPK2 Q9H2X6 1/20 0.33
KIT P10721 1/20 0.33
LMNA P02545 2/20 0.32
NOD2 Q9HC29 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL13659628 0.86 CHEK1 (0.52) CSNK2A1NCOA3TNFCHEK1CHUK
SCHEMBL4296233 0.81 CHEK1 (0.47) NCOA3CHEK1CHUKHTTKDM4E
SCHEMBL4297665 0.78 NCOA3 (0.68) NCOA3CHEK1CHUKHTTKDM4E
SCHEMBL4291875 0.74 PTGS1 (0.33) CHEK1CHUKHTTKDM4EPOLB
SCHEMBL4294738 0.73 NCOA3 (0.40) NCOA3CHUKHTTKDM4EPOLB
SCHEMBL13659615 0.73 NCOA3 (0.40) CSNK2A1NCOA3CHUKHTTKDM4E
SCHEMBL28455526 0.72 HIPK2 (0.53) NCOA3CHUKHTTKDM4EPOLB
SCHEMBL4290110 0.70 CHEK1 (0.52) NCOA3TNFCHEK1CHUKHTT
SCHEMBL4297677 0.70 CCNT1 (0.40) NCOA3CHUKHTTKDM4EPOLB
SCHEMBL4302560 0.69 RXFP1 (0.64) HTTKDM4EPOLBHIPK2

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 CSNK2A1 325/4885NCOA3 858/4885TNF 4367/4885

“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.