SCHEMBL3619781

SCHEMBL3619781

Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(NCC3CC3)nnc2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.69
RAF1 P04049 1/20 0.68
MAPK14 Q16539 8/20 0.64
HSPB1 P04792 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK11 Q15759 1/20 0.57
RIPK2 O43353 1/20 0.53
SGK1 O00141 1/20 0.52

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
SCHEMBL3620634 0.86 MAPK13 (0.70) MAPK13MAPK14CYP2C9MAPK11
SCHEMBL379524 0.85 MAPK13 (0.76) MAPK13RAF1MAPK14
SCHEMBL379696 0.83 MAPK13 (0.69) MAPK13RAF1MAPK14RIPK2
SCHEMBL379661 0.82 MAPK13 (0.76) MAPK13RAF1MAPK14
SCHEMBL379884 0.82 MAPK13 (1.00) MAPK13RAF1MAPK14
SCHEMBL379666 0.81 MAPK13 (0.79) MAPK13RAF1MAPK14RIPK2
SCHEMBL380272 0.81 MAPK13 (1.00) MAPK13RAF1MAPK14
SCHEMBL379826 0.81 MAPK13 (0.86) MAPK13RAF1MAPK14RIPK2
SCHEMBL380693 0.81 MAPK13 (1.00) MAPK13RAF1MAPK14
SCHEMBL379583 0.80 MAPK13 (0.75) MAPK13RAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US claimed
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
WO-2008107125-A1 NEW 3-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2008-09-12 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-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES MAP4K2, MAP3K7, MAPK7 MAPK13 37/4885RAF1 65/4885MAPK14 31/4885

“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.