SCHEMBL4140773

SCHEMBL4140773

Nc1cc(F)c2[nH]nc(/C=C/c3cccnc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.45
TDO2 P48775 4/20 0.41
IDO1 P14902 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRM4 Q14833 1/20 0.39
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNA2 P20248 2/20 0.38
CCND1 P24385 2/20 0.38
CDK2 P24941 2/20 0.38
CCND3 P30281 2/20 0.38
NTSR1 P30989 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4136204 1.00 CHEK1 (0.45) CHEK1TDO2IDO1CYP11B1CYP11B2
SCHEMBL4144766 0.86 KDR (0.47) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4145365 0.85 TTK (0.45) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4149528 0.82 CHEK1 (0.50) CHEK1GRM4CDK1CDK4CCNA2
SCHEMBL4142185 0.81 NTSR1 (0.47) CHEK1TDO2IDO1CYP11B1CYP11B2
SCHEMBL4142181 0.81 NTSR1 (0.47) CHEK1TDO2IDO1CYP11B1CYP11B2
SCHEMBL4139812 0.81 KDM4E (0.38) CHEK1GRM4PTGS1MEN1KMT2A
SCHEMBL5922432 0.79 CHEK1 (0.53) CHEK1TDO2CYP11B1CYP11B2GRM4
SCHEMBL5922428 0.79 CHEK1 (0.53) CHEK1TDO2CYP11B1CYP11B2GRM4
SCHEMBL4153389 0.78 CHEK1 (0.53) CHEK1TDO2IDO1CYP11B1CYP11B2

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 9 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-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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 952/4885TDO2 2380/4885IDO1 3063/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885TDO2 2586/4885IDO1 3135/4885

“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.