SCHEMBL3476728

SCHEMBL3476728

CONC(=O)c1cccc(F)c1-c1cc(Nc2cc(C)nn2C)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.53
MAPK1 P28482 6/20 0.43
RPS6KA1 Q15418 3/20 0.43
MAPK3 P27361 1/20 0.42
JAK1 P23458 6/20 0.35
TYK2 P29597 6/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
MET P08581 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL690564 0.85 PTK2 (0.61) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL691670 0.80 PTK2 (0.79) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL691964 0.78 MAPK1 (0.63) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL22174998 0.78 PTK2 (0.62) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL692860 0.75 PTK2 (0.59) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL690133 0.75 MAPK1 (0.55) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL1293127 0.75 PTK2 (0.77) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL1293051 0.75 PTK2 (0.50) PTK2MAPK1RPS6KA1MAPK3JAK1
SCHEMBL1559144 0.73 MAPK3 (0.66) PTK2MAPK1MAPK3
SCHEMBL690300 0.71 PTK2 (0.75) PTK2MAPK1MAPK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 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-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAPK1 221/4885RPS6KA1 136/4885

“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.