SCHEMBL4138922

SCHEMBL4138922

CC(C)(O)CCNc1cc2c(C=Cc3cccnc3)n[nH]c2cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.43
AURKA O14965 4/20 0.41
AURKB Q96GD4 4/20 0.38
CDK1 P06493 3/20 0.38
CDK4 P11802 3/20 0.38
CCNA2 P20248 3/20 0.38
CCND1 P24385 3/20 0.38
CDK2 P24941 3/20 0.38
CCND3 P30281 3/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDR P35968 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTSR1 P30989 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
SCHEMBL27623750 1.00 CHEK1 (0.43) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL27623738 0.85 AURKA (0.42) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4149553 0.85 AURKA (0.42) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4138917 0.84 AURKA (0.49) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4138911 0.84 AURKA (0.49) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL27604804 0.82 CHEK1 (0.47) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4148610 0.82 CHEK1 (0.47) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4145049 0.81 AURKA (0.45) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4145042 0.81 AURKA (0.45) CHEK1AURKAAURKBCDK1CDK4
SCHEMBL4155920 0.81 AURKA (0.48) CHEK1AURKAAURKBCDK1CDK4

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 CHEK1 952/4885AURKA 726/4885AURKB 608/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885AURKA 710/4885AURKB 579/4885

“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.