SCHEMBL5034290

SCHEMBL5034290

O=C(CNc1ccccn1)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.49
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
AURKB Q96GD4 5/20 0.45
DHODH Q02127 1/20 0.44
KDR P35968 8/20 0.43
SNCA P37840 1/20 0.39
FGFR1 P11362 5/20 0.39
CHEK1 O14757 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
SCHEMBL5034281 1.00 AURKA (0.49) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL4152214 0.86 AURKA (0.55) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL4152210 0.86 AURKA (0.55) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL5032470 0.85 AURKA (0.46) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL5032464 0.85 AURKA (0.46) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL5031141 0.83 AURKA (0.46) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL5031152 0.83 AURKA (0.46) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL6426328 0.83 SNCA (0.58) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL4146534 0.83 AURKA (0.52) AURKACSF1RPDGFRBKITPDGFRA
SCHEMBL4146538 0.83 AURKA (0.52) AURKACSF1RPDGFRBKITPDGFRA

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 710/4885CSF1R 1253/4885PDGFRB 1019/4885

“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.