SCHEMBL5032464

SCHEMBL5032464

O=C(CNc1ccncc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.46
AURKB Q96GD4 5/20 0.45
KDR P35968 3/20 0.43
GRK2 P25098 1/20 0.41
CHEK1 O14757 8/20 0.41
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCND3 P30281 3/20 0.39
CDK1 P06493 2/20 0.39
TTK P33981 1/20 0.38

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
SCHEMBL5032470 1.00 AURKA (0.46) AURKAAURKBKDRGRK2CHEK1
SCHEMBL5031152 0.89 AURKA (0.46) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL5031141 0.89 AURKA (0.46) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4149448 0.87 AURKA (0.60) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4149451 0.87 AURKA (0.60) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4146534 0.85 AURKA (0.52) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL4146538 0.85 AURKA (0.52) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL5034290 0.85 AURKA (0.49) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL5034281 0.85 AURKA (0.49) AURKAAURKBKDRCHEK1CSF1R
SCHEMBL27604791 0.84 AURKA (0.53) AURKAAURKBKDRCHEK1CSF1R

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-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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 AURKA 710/4885AURKB 579/4885KDR 1044/4885

“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.