SCHEMBL5032398

SCHEMBL5032398

Fc1ccc(C=Cc2n[nH]c3cc(F)c(-c4nnc(Cc5cccnc5)[nH]4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.42
AURKA O14965 4/20 0.38
CDK4 P11802 5/20 0.37
CCNA2 P20248 5/20 0.37
CCND1 P24385 5/20 0.37
CDK2 P24941 5/20 0.37
CCND3 P30281 5/20 0.37
CDK1 P06493 3/20 0.37
AURKB Q96GD4 2/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
TBXAS1 P24557 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL5032394 1.00 CHEK1 (0.42) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4145856 0.90 AURKA (0.45) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4145853 0.90 AURKA (0.45) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4149425 0.83 CHEK1 (0.37) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4149422 0.83 CHEK1 (0.37) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4136540 0.82 CHEK1 (0.38) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4136547 0.82 CHEK1 (0.38) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4157585 0.81 CHEK1 (0.38) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4157590 0.81 CHEK1 (0.38) CHEK1AURKACDK4CCNA2CCND1
SCHEMBL4151339 0.81 AURKA (0.37) CHEK1AURKACDK4CCNA2CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885AURKA 710/4885CDK4 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.