SCHEMBL4145361

SCHEMBL4145361

NC(=O)n1nc(/C=C/c2ccncc2)c2c[c]cc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4145363 1.00 JUN (0.33) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL4144758 0.89 ENPP3 (0.33)
SCHEMBL4144764 0.89 ENPP3 (0.33)
SCHEMBL4139804 0.89 ENPP2 (0.36) KDM4E
SCHEMBL4139807 0.89 ENPP2 (0.36) KDM4E
SCHEMBL4136196 0.87 MAPT (0.39) JUNNFKB1HDAC1KDM4E
SCHEMBL4136199 0.87 MAPT (0.39) JUNNFKB1HDAC1KDM4E
SCHEMBL4149526 0.83 NFE2L2 (0.39) KDM4E
SCHEMBL4149522 0.83 NFE2L2 (0.39) KDM4E
SCHEMBL4144404 0.83 ALOX5 (0.34)

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 3 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-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 (1 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 JUN 130/4885NFKB1 1386/4885KDM1A 1522/4885

“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.