SCHEMBL4148735

SCHEMBL4148735

N#Cc1ccc2[nH]nc(C=Cc3cccc(F)c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
NFE2L2 Q16236 8/20 0.44
USP20 Q9Y2K6 1/20 0.43
GRM4 Q14833 1/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
RELA Q04206 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
TTK P33981 1/20 0.37
NQO2 P16083 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TUBB4A P04350 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
SCHEMBL4148729 1.00 CHEK1 (0.48) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL14087217 0.82 CHEK1 (0.50) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4144487 0.82 CHEK1 (0.50) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4144491 0.82 CHEK1 (0.50) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4148339 0.79 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4148344 0.79 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4145506 0.76 CLK2 (0.45)
SCHEMBL4144515 0.76 CHEK1 (0.57) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4144520 0.76 CHEK1 (0.57) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL5865004 0.73 GRM4 (0.57) NFE2L2USP20GRM4RELAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CHEK1 952/4885CDK1 191/4885CDK4 256/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK1 180/4885CDK4 260/4885

“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.