SCHEMBL4139675

SCHEMBL4139675

N#Cc1cc2c(C=Cc3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.55
TTK P33981 1/20 0.43
KDR P35968 7/20 0.41
FGFR1 P11362 1/20 0.41
CDK1 P06493 3/20 0.39
CDK4 P11802 3/20 0.39
CCNA2 P20248 3/20 0.39
CCND1 P24385 3/20 0.39
CDK2 P24941 3/20 0.39
CCND3 P30281 3/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL4139672 1.00 CHEK1 (0.55) CHEK1TTKKDRFGFR1CDK1
SCHEMBL4153955 0.84 TTK (0.50) CHEK1TTKKDRFGFR1CDK1
SCHEMBL4153963 0.84 TTK (0.50) CHEK1TTKKDRFGFR1CDK1
SCHEMBL4144520 0.83 CHEK1 (0.57) CHEK1TTKKDRFGFR1CDK1
SCHEMBL4144515 0.83 CHEK1 (0.57) CHEK1TTKKDRFGFR1CDK1
SCHEMBL4149163 0.83 CHEK1 (0.57) CHEK1KDRFGFR1CDK1CDK4
SCHEMBL4150678 0.83 CHEK1 (0.57) CHEK1KDRFGFR1CDK1CDK4
SCHEMBL5593670 0.81 CHEK1 (0.44) CHEK1TTKKDRFGFR1CDK1
SCHEMBL5593669 0.81 CHEK1 (0.44) CHEK1TTKKDRFGFR1CDK1
SCHEMBL4146139 0.80 CHEK1 (0.53) CHEK1KDRFGFR1CDK4CCND1

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 952/4885TTK 246/4885KDR 932/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885TTK 240/4885KDR 1044/4885

“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.