SCHEMBL7326690

SCHEMBL7326690

COc1cc(C(F)(F)F)nn1-c1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.64
PTGS1 P23219 8/20 0.52
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.44
CASR P41180 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL22121922 0.85 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7205947 0.84 PTGS1 (0.58) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7327229 0.84 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL18865753 0.84 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL27031423 0.83 CASR (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL27140109 0.83 CASR (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7322949 0.82 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL29140759 0.82 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL29140716 0.82 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL22122093 0.81 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PTGS2 158/4885PTGS1 197/4885CYP1A2 42/4885

“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.