SCHEMBL12349657

SCHEMBL12349657

CNC(=O)c1cccc(F)c1Nc1cc(Nc2cc(CN(C)C)nn2C)ncc1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
TYK2 P29597 19/20 0.42
JAK1 P23458 18/20 0.42
KCNH2 Q12809 1/20 0.40
JAK2 O60674 3/20 0.40
PDE4D Q08499 2/20 0.36

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
SCHEMBL690264 0.92 MAPK3 (0.41) MAPK3MAPK1TYK2JAK1
SCHEMBL12103304 0.91 MAPK1 (0.46) MAPK3MAPK1TYK2JAK1KCNH2
SCHEMBL691314 0.90 MAPK3 (0.55) MAPK3MAPK1TYK2JAK1KCNH2
SCHEMBL12103291 0.89 MAPK3 (0.45) MAPK3MAPK1TYK2JAK1KCNH2
SCHEMBL12103252 0.87 MAPK1 (0.57) MAPK3MAPK1TYK2JAK1KCNH2
SCHEMBL1293118 0.85 MET (0.42) MAPK3MAPK1TYK2JAK1
SCHEMBL12357165 0.85 MAPK3 (0.41) MAPK3MAPK1TYK2JAK1KCNH2
SCHEMBL12357186 0.84 MAPK3 (0.41) MAPK3MAPK1TYK2JAK1KCNH2
SCHEMBL690951 0.84 MAPK3 (0.41) MAPK3MAPK1TYK2JAK1
SCHEMBL1293028 0.83 MET (0.41) MAPK3MAPK1TYK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-9012479-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2015-04-21 US disclosed
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-04-17 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 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 (4 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-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPK3 64/4885MAPK1 221/4885TYK2 560/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPK3 64/4885MAPK1 221/4885TYK2 560/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPK3 64/4885MAPK1 221/4885TYK2 560/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPK3 64/4885MAPK1 221/4885TYK2 560/4885

“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.