SCHEMBL4146162

SCHEMBL4146162

COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.42
CHEK1 O14757 3/20 0.40
FGFR1 P11362 5/20 0.39
TNFRSF1A P19438 1/20 0.38
AURKA O14965 2/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
AURKB Q96GD4 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
SCHEMBL4146169 1.00 KDR (0.42) KDRCHEK1FGFR1TNFRSF1AAURKA
SCHEMBL4144844 0.88 CHEK1 (0.48) KDRCHEK1FGFR1CDK1CDK4
SCHEMBL4144842 0.88 CHEK1 (0.48) KDRCHEK1FGFR1CDK1CDK4
SCHEMBL4146592 0.88 ALDH1A1 (0.38) KDRCHEK1FGFR1TNFRSF1AAURKA
SCHEMBL4146596 0.88 ALDH1A1 (0.38) KDRCHEK1FGFR1TNFRSF1AAURKA
SCHEMBL4151848 0.87 KDR (0.38) KDRCHEK1FGFR1AURKACDK4
SCHEMBL4151845 0.87 KDR (0.38) KDRCHEK1FGFR1AURKACDK4
SCHEMBL4145366 0.87 KDR (0.44) KDRCHEK1FGFR1AURKACDK4
SCHEMBL4145369 0.87 KDR (0.44) KDRCHEK1FGFR1AURKACDK4
SCHEMBL4144543 0.87 CHEK1 (0.43) KDRCHEK1FGFR1AURKACDK1

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 9 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 KDR 932/4885CHEK1 952/4885FGFR1 278/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885CHEK1 657/4885FGFR1 328/4885

“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.