SCHEMBL10173666

SCHEMBL10173666

CCOc1nc2c(cc1C(=O)Nc1cc(C(F)(F)F)ccn1)nc(Nc1c(Cl)cncc1Cl)n2C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.49
IDH2 P48735 1/20 0.40
BRAF P15056 4/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
BTK Q06187 3/20 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
EPAS1 Q99814 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL2686387 0.94 PTGES (0.49) PTGESBRAFPDE4APDE4BPDE4C
SCHEMBL2683520 0.92 PTGES (0.48) PTGESBRAFPDE4APDE4BPDE4C
SCHEMBL10173652 0.92 PTGES (0.49) PTGESIDH2BRAFBTKALDH1A1
SCHEMBL2683525 0.92 PTGES (0.57) PTGES
SCHEMBL2302806 0.86 PTGES (0.49) PTGESBRAFKDREPAS1LCK
SCHEMBL10173438 0.85 PTGES (0.51) PTGESBRAFKDREPAS1
SCHEMBL2684982 0.84 PTGES (0.57) PTGES
SCHEMBL2355786 0.83 PTGES (0.42) PTGESIDH2BRAFPDE4APDE4B
Formic Acid SCHEMBL2682895 0.82 PTGES (0.48) PTGESBRAFKDREPAS1
SCHEMBL6124851 0.81 PTGES (0.53) PTGESIDH2BRAFBTKALDH1A1

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 132/4885IDH2 425/4885BRAF 868/4885

“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.