SCHEMBL4138911

SCHEMBL4138911

CC(C)(O)CC(=O)Nc1cc2c(/C=C/c3cccnc3)n[nH]c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
AURKB Q96GD4 5/20 0.45
KDR P35968 4/20 0.42
CHEK1 O14757 4/20 0.41
GSK3B P49841 2/20 0.38
CYP1A2 P05177 1/20 0.38
WNT1 P04628 2/20 0.38
DYRK1A Q13627 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
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

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
SCHEMBL4138917 1.00 AURKA (0.49) AURKAAURKBKDRCHEK1GSK3B
SCHEMBL4149549 0.86 AURKA (0.51) AURKAAURKBKDRCHEK1GSK3B
SCHEMBL4149547 0.86 AURKA (0.51) AURKAAURKBKDRCHEK1GSK3B
SCHEMBL4155920 0.86 AURKA (0.48) AURKAAURKBKDRCHEK1WNT1
SCHEMBL4155914 0.86 AURKA (0.48) AURKAAURKBKDRCHEK1WNT1
SCHEMBL4145049 0.86 AURKA (0.45) AURKAAURKBKDRCHEK1GSK3B
SCHEMBL4145042 0.86 AURKA (0.45) AURKAAURKBKDRCHEK1GSK3B
SCHEMBL4138922 0.84 CHEK1 (0.43) AURKAAURKBKDRCHEK1WNT1
SCHEMBL27623750 0.84 CHEK1 (0.43) AURKAAURKBKDRCHEK1WNT1
SCHEMBL4148604 0.83 AURKA (0.48) AURKAAURKBKDRCHEK1HDAC1

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.