SCHEMBL14119899

SCHEMBL14119899

ON/C=N/c1ncc(I)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.33
CYP2D6 P10635 1/20 0.33
PLAU P00749 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14232278 1.00 CYP2C9 (0.33) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL14119902 1.00 CYP2C9 (0.33) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL14917059 0.80 PLAU (0.54) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL30236666 0.70 CYP2C9 (0.40) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL24387226 0.70 PLAU (0.54) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL29749760 0.70 PLAU (0.54) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL14119964 0.70 PLAU (0.39) CYP2C9CYP2D6PLAUCYP1A2CYP19A1
SCHEMBL29414008 0.68 CYP2C9 (0.35) CYP2C9CYP2D6PLAU
SCHEMBL28852779 0.68 CYP2C9 (0.35) CYP2C9CYP2D6PLAU
SCHEMBL28356992 0.67 BTK (0.35) CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19

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-20120309746-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-12-06 US disclosed
WO-2012163724-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-06 WO 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-20120309746-A1 TRIAZOLOPYRIDINE COMPOUNDS SYK, BTK, IRAK4 CYP2C9 2996/4885CYP2D6 1865/4885PLAU 4620/4885

“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.