SCHEMBL4153087

SCHEMBL4153087

O=C(Cc1cccs1)Nc1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.69
AURKB Q96GD4 7/20 0.69
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CHEK1 O14757 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL4153084 1.00 AURKA (0.69) AURKAAURKBMEN1KMT2ACHEK1
SCHEMBL4144612 0.91 AURKA (0.71) AURKAAURKBMEN1KMT2ACA1
SCHEMBL4144607 0.91 AURKA (0.71) AURKAAURKBMEN1KMT2ACA1
SCHEMBL4148985 0.90 AURKA (0.68) AURKAAURKBMEN1KMT2ACA1
SCHEMBL4148991 0.90 AURKA (0.68) AURKAAURKBMEN1KMT2ACA1
SCHEMBL4136551 0.88 AURKA (0.67) AURKAAURKBMEN1KMT2ACHEK1
SCHEMBL4154110 0.88 AURKA (0.67) AURKAAURKBMEN1KMT2ACHEK1
SCHEMBL4154115 0.88 AURKA (0.67) AURKAAURKBMEN1KMT2ACHEK1
SCHEMBL4136557 0.88 AURKA (0.67) AURKAAURKBMEN1KMT2ACHEK1
SCHEMBL4135771 0.87 AURKA (0.66) AURKAAURKBMEN1KMT2ACA1

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 608/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885MEN1 4470/4885

“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.