SCHEMBL5034286

SCHEMBL5034286

CN(C)CC1(C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.44
CHEK1 O14757 2/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 8/20 0.41
AURKB Q96GD4 6/20 0.41
FGFR1 P11362 2/20 0.40
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
PLK4 O00444 1/20 0.36

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
SCHEMBL5031114 0.90 AURKA (0.44) AURKACHEK1CCNA2CDK2KDR
SCHEMBL6427685 0.90 CHEK1 (0.47) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL5034375 0.90 AURKA (0.44) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL5034350 0.86 CHEK1 (0.43) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL6428707 0.86 CHEK1 (0.49) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL6427851 0.85 CHEK1 (0.45) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL5032415 0.84 AURKA (0.44) AURKAKDRAURKBFGFR1CSF1R
SCHEMBL4150153 0.82 CHEK1 (0.51) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL4150149 0.82 CHEK1 (0.51) AURKACHEK1CDK1CDK4CCNA2
SCHEMBL6426485 0.80 AURKA (0.43) AURKACHEK1CDK4CCNA2CDK2

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 4 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-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

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 952/4885CDK1 191/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885CHEK1 657/4885CDK1 180/4885

“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.