SCHEMBL7242014

SCHEMBL7242014

Nc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.53
PTGS1 P23219 12/20 0.53
PDPK1 O15530 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4978131 0.83 PTGS1 (0.63) PTGS2PTGS1PDPK1CYP1A2CYP3A4
SCHEMBL3277337 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7323665 0.80 PTGS2 (0.53) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14887387 0.80 PTGS2 (0.57) PTGS2PTGS1PDPK1CYP3A4CYP2C9
SCHEMBL8292452 0.79 PTGS2 (0.86) PTGS2PTGS1PDPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31566300 0.79 PTGS2 (0.56) PTGS2PTGS1PDPK1CYP3A4CYP2C9
SCHEMBL3283975 0.78 PTGS2 (0.54) PTGS2PTGS1PDPK1CYP3A4CYP2C9
SCHEMBL1880301 0.78 PTGS2 (0.51) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL1887981 0.78 PTGS2 (0.51) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL7242623 0.77 PTGS1 (0.64) PTGS2PTGS1PDPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
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 197/4885PDPK1 3706/4885

“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.