SCHEMBL4153718

SCHEMBL4153718

O=C(CCO)Nc1cc2c(C=Cc3ccccc3F)n[nH]c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.48
CHEK1 O14757 4/20 0.47
CDK2 P24941 3/20 0.47
CDK4 P11802 2/20 0.47
CCNA2 P20248 2/20 0.47
CCND1 P24385 2/20 0.47
CCND3 P30281 2/20 0.47
CDK1 P06493 2/20 0.47
AURKB Q96GD4 6/20 0.46
KDR P35968 6/20 0.42
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GSK3B P49841 2/20 0.37
FGFR1 P11362 1/20 0.36
PLK4 O00444 1/20 0.35

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
SCHEMBL4153713 1.00 AURKA (0.48) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL4148607 0.85 AURKA (0.48) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL4148604 0.85 AURKA (0.48) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL4157896 0.85 CHEK1 (0.51) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL4157900 0.85 CHEK1 (0.51) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL4144156 0.84 AURKA (0.51) AURKACHEK1CDK2CCNA2AURKB
SCHEMBL4144153 0.84 AURKA (0.51) AURKACHEK1CDK2CCNA2AURKB
SCHEMBL4137574 0.83 CHEK1 (0.45) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL4137578 0.83 CHEK1 (0.45) AURKACHEK1CDK2CDK4CCNA2
SCHEMBL5034320 0.78 CHEK1 (0.43) AURKACHEK1CDK2CDK4CCNA2

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 726/4885CHEK1 952/4885CDK2 176/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885CHEK1 657/4885CDK2 194/4885

“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.