SCHEMBL4139698

SCHEMBL4139698

OC1CN=C(c2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)NC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCND3 P30281 4/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CDK1 P06493 2/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
KDR P35968 6/20 0.34
TTK P33981 1/20 0.34
LCK P06239 1/20 0.33

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
SCHEMBL4139694 1.00 CHEK1 (0.37) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4149267 0.82 NISCH (0.41) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4149269 0.82 NISCH (0.41) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4146886 0.82 KDR (0.36) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4146885 0.82 KDR (0.36) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4153011 0.81 AURKA (0.41) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4153005 0.81 AURKA (0.41) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4137446 0.80 CHEK1 (0.33) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4137450 0.80 CHEK1 (0.33) CHEK1CDK4CCND1CCND3CCNA2
SCHEMBL4152800 0.75 CHEK1 (0.44) CHEK1CDK4CCND1CCND3CCNA2

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 952/4885CDK4 256/4885CCND1 1232/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK4 260/4885CCND1 1309/4885

“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.