SCHEMBL4146044

SCHEMBL4146044

Nc1cc2c(C=Cc3cccs3)n[nH]c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
AURKB Q96GD4 3/20 0.44
KDR P35968 4/20 0.43
CHEK1 O14757 10/20 0.42
CDK4 P11802 4/20 0.42
CCNA2 P20248 4/20 0.42
CCND1 P24385 4/20 0.42
CDK2 P24941 4/20 0.42
CCND3 P30281 4/20 0.42
CDK1 P06493 3/20 0.42
GRM4 Q14833 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 2/20 0.35
NTRK3 Q16288 2/20 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
SCHEMBL4146038 1.00 AURKA (0.44) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4145374 0.81 KDR (0.48) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4145378 0.81 KDR (0.48) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4142174 0.81 CHEK1 (0.59) AURKAAURKBKDRCHEK1CDK4
SCHEMBL27623671 0.78 KDR (0.47) AURKAAURKBKDRCHEK1CDK4
SCHEMBL27604860 0.78 KDR (0.47) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4144062 0.78 KDR (0.48) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4144057 0.78 KDR (0.48) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4149789 0.78 KDR (0.48) AURKAAURKBKDRCHEK1CDK4
SCHEMBL27623669 0.78 KDR (0.46) AURKAAURKBKDRCHEK1CDK4

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 AURKA 726/4885AURKB 608/4885KDR 932/4885
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.