SCHEMBL1323795

SCHEMBL1323795

Cc1cc(Nc2cc(NCc3ccccc3C(N)=O)c(C(F)(F)F)cn2)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.56
MAPK1 P28482 1/20 0.56
CD38 P28907 5/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK10 P53779 10/20 0.41
MAPK8 P45983 7/20 0.41
MAPK9 P45984 3/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
TYK2 P29597 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL1323800 0.83 MAPK3 (0.59) MAPK3MAPK1MAPK10MAPK8MAPK9
SCHEMBL691377 0.79 MAPK3 (0.80) MAPK3MAPK1MAPK10MAPK9JAK2
SCHEMBL1559144 0.79 MAPK3 (0.66) MAPK3MAPK1MAPK10MAPK8MAPK9
SCHEMBL1557925 0.78 MAPK3 (0.63) MAPK3MAPK1MAPK10MAPK8MAPK9
SCHEMBL1559558 0.77 MAPK3 (0.63) MAPK3MAPK1MAPK10MAPK8MAPK9
SCHEMBL690794 0.75 CD38 (0.49) CD38CYP3A4MAPK10MAPK8AURKB
SCHEMBL1293213 0.74 MAPK3 (0.72) MAPK3MAPK1MAPK10MAPK9JAK1
SCHEMBL15680077 0.74 MAPK1 (0.55) MAPK3MAPK1MAPK10MAPK8MAPK9
SCHEMBL700925 0.73 JAK3 (0.42) CD38JAK2JAK1JAK3TYK2
SCHEMBL1559217 0.72 MAPK3 (1.00) MAPK3MAPK1MAPK10MAPK9JAK2

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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPK3 64/4885MAPK1 221/4885CD38 646/4885

“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.