SCHEMBL12103333

SCHEMBL12103333

[2H]C([2H])(O)c1cc(Nc2cc(Nc3c(F)cccc3C(=O)NC)c(Cl)cn2)n(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.42
INSR P06213 12/20 0.42
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
PTK2 Q05397 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL1293192 0.93 MET (0.43) METINSRJAK1TYK2JAK2
SCHEMBL1293031 0.92 MET (0.42) METINSRJAK1TYK2MAPK3
SCHEMBL12103383 0.92 MAPK3 (0.42) METINSRJAK1TYK2JAK2
SCHEMBL1293028 0.89 MET (0.41) METINSRJAK1TYK2MAPK3
SCHEMBL1293073 0.89 PTK2 (0.47) METINSRJAK1TYK2JAK2
SCHEMBL1293095 0.85 MAPK1 (0.43) METINSRJAK1TYK2MAPK3
SCHEMBL12103254 0.84 JAK1 (0.43) METINSRJAK1TYK2JAK2
SCHEMBL690567 0.84 PTK2 (0.50) METINSRJAK1TYK2PTK2
SCHEMBL690644 0.83 MAPK3 (0.42) METINSRJAK1TYK2MAPK3
SCHEMBL12349650 0.83 JAK1 (0.43) METINSRJAK1TYK2JAK2

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 MET 1274/4885INSR 1704/4885JAK1 56/4885

“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.