SCHEMBL4143791

SCHEMBL4143791

N#Cc1ccc(F)c(C(=O)c2cccc(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PARP1 P09874 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
VNN1 O95497 2/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MAPK14 Q16539 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
ADCY1 Q08828 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
SCHEMBL4136985 0.82 HSD17B14 (0.54) IGFBP3CES2CES1KMT2AMEN1
SCHEMBL27536109 0.74 CES2 (0.53) CES2CES1PARP1KMT2AHDAC1
SCHEMBL2865154 0.72 CES2 (0.51) CES2CES1PARP1KMT2AMEN1
SCHEMBL4136803 0.72 CES2 (0.50) IGFBP3CES2CES1PARP1KMT2A
SCHEMBL1258944 0.71 CES2 (0.74) CES2CES1PARP1KMT2AMEN1
SCHEMBL2705684 0.69 CES2 (0.71) CES2CES1PARP1KMT2AMEN1
Hydrochloric Acid SCHEMBL27733562 0.69 CES2 (0.71) CES2CES1PARP1KMT2AMEN1
SCHEMBL18412841 0.69 KCNQ3 (0.41) KCNQ3KCNQ2RAB9A
SCHEMBL2858165 0.69 CES2 (0.50) CES2CES1PARP1KMT2AMEN1
SCHEMBL3038873 0.68 CES2 (0.63) CES2CES1PARP1KMT2AHDAC1

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 8 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-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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 IGFBP3 2412/4885CES2 3799/4885CES1 3709/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B IGFBP3 2339/4885CES2 3958/4885CES1 3956/4885

“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.