SCHEMBL4140519

SCHEMBL4140519

O=C(CC1CC1)Nc1cc2c(C=Cc3ccc(F)c(F)c3)n[nH]c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.46
KDR P35968 5/20 0.42
AURKB Q96GD4 6/20 0.42
ACHE P22303 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
CHEK1 O14757 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CHRM1 P11229 1/20 0.33

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
SCHEMBL4140514 1.00 AURKA (0.46) AURKAKDRAURKBACHEAAK1
SCHEMBL4150345 0.91 AURKA (0.48) AURKAKDRAURKBACHEAAK1
SCHEMBL4150349 0.91 AURKA (0.48) AURKAKDRAURKBACHEAAK1
SCHEMBL4137713 0.89 AURKA (0.47) AURKAKDRAURKBAAK1CHEK1
SCHEMBL4152313 0.89 AURKA (0.49) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL4152311 0.89 AURKA (0.49) AURKAKDRAURKBCHEK1CCNA2
SCHEMBL4137708 0.89 AURKA (0.47) AURKAKDRAURKBAAK1CHEK1
SCHEMBL13927861 0.85 KDR (0.44) AURKAKDRAURKBAAK1CDK2
SCHEMBL5031150 0.83 KDR (0.42) AURKAKDRAURKBAAK1CSF1R
SCHEMBL4146439 0.81 PARP1 (0.47) AURKAKDRAURKB

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 726/4885KDR 932/4885AURKB 608/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885KDR 1044/4885AURKB 579/4885

“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.