SCHEMBL5031152

SCHEMBL5031152

O=C(CNc1cccnc1)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.46
KDR P35968 8/20 0.43
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
AURKB Q96GD4 3/20 0.42
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FGFR1 P11362 3/20 0.40
CHEK1 O14757 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NOTUM Q6P988 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
SCHEMBL5031141 1.00 AURKA (0.46) AURKAKDRWNT1DYRK1AAURKB
SCHEMBL5032464 0.89 AURKA (0.46) AURKAKDRAURKBCSF1RPDGFRB
SCHEMBL5032470 0.89 AURKA (0.46) AURKAKDRAURKBCSF1RPDGFRB
SCHEMBL4137016 0.86 AURKA (0.58) AURKAKDRAURKBCSF1RPDGFRB
SCHEMBL4137009 0.86 AURKA (0.58) AURKAKDRAURKBCSF1RPDGFRB
SCHEMBL5034290 0.83 AURKA (0.49) AURKAKDRAURKBCSF1RPDGFRB
SCHEMBL5034281 0.83 AURKA (0.49) AURKAKDRAURKBCSF1RPDGFRB
SCHEMBL4150555 0.83 KDR (0.54) AURKAKDRFGFR1CHEK1KDM4E
SCHEMBL4150561 0.83 KDR (0.54) AURKAKDRFGFR1CHEK1KDM4E
SCHEMBL4146534 0.82 AURKA (0.52) AURKAKDRAURKBCSF1RPDGFRB

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 3 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
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 710/4885KDR 1044/4885WNT1 255/4885

“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.