SCHEMBL10173652

SCHEMBL10173652

CCOc1nc2c(cc1C(=O)Nc1cc(C(F)(F)F)ccn1)nc(Nc1c(Cl)cc(F)cc1Cl)n2C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.49
BRAF P15056 4/20 0.40
CYP2D6 P10635 1/20 0.40
BTK Q06187 3/20 0.39
GRM5 P41594 1/20 0.38
LCK P06239 1/20 0.38
IDH2 P48735 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL2302806 0.94 PTGES (0.49) PTGESBRAFCYP2D6GRM5LCK
SCHEMBL10173666 0.92 PTGES (0.49) PTGESBRAFBTKLCKIDH2
SCHEMBL2684982 0.92 PTGES (0.57) PTGES
SCHEMBL2686387 0.86 PTGES (0.49) PTGESBRAFGRM5KDR
SCHEMBL10173438 0.85 PTGES (0.51) PTGESBRAFCYP2D6KDR
SCHEMBL2683520 0.85 PTGES (0.48) PTGESBRAFGRM5KDR
SCHEMBL2683525 0.84 PTGES (0.57) PTGES
SCHEMBL10173656 0.83 PTGES (0.40) PTGESBTKGRM5IDH2ALDH1A1
Formic Acid SCHEMBL2682895 0.82 PTGES (0.48) PTGESBRAFCYP2D6KDR
SCHEMBL10173651 0.81 PTGES (0.42) PTGES

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-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, MAPRE2, IL4 PTGES 132/4885BRAF 868/4885CYP2D6 548/4885

“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.