SCHEMBL16458989

SCHEMBL16458989

Cc1cc(Nc2cc(NN(C)C(=O)c3cccc(F)c3)c(Cl)cn2)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
MAPK3 P27361 1/20 0.46
RPS6KA1 Q15418 2/20 0.42
PTK2 Q05397 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
PKM P14618 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 4/20 0.37
MAPT P10636 2/20 0.36
TTK P33981 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34

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
SCHEMBL691627 0.76 PTK2 (0.45) MAPK1MAPK3RPS6KA1PTK2NPC1
SCHEMBL1293067 0.73 MAPK1 (0.77) MAPK1MAPK3RPS6KA1PTK2KDM4E
SCHEMBL690192 0.73 MAPK1 (0.66) MAPK1MAPK3RPS6KA1PTK2KDM4E
SCHEMBL690133 0.72 MAPK1 (0.55) MAPK1MAPK3RPS6KA1PTK2
SCHEMBL1293012 0.72 PTK2 (0.59) MAPK1MAPK3RPS6KA1PTK2ALDH1A1
SCHEMBL691964 0.71 MAPK1 (0.63) MAPK1MAPK3RPS6KA1PTK2KDM4E
SCHEMBL22174998 0.71 PTK2 (0.62) MAPK1MAPK3RPS6KA1PTK2KDM4E
SCHEMBL12102982 0.71 PTK2 (0.60) MAPK1MAPK3RPS6KA1PTK2MEN1
SCHEMBL697233 0.71 PTK2 (0.60) MAPK1MAPK3PTK2MAPTMEN1
SCHEMBL690564 0.70 PTK2 (0.61) MAPK1MAPK3RPS6KA1PTK2KDM4E

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-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-04-17 US claimed

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-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPK1 221/4885MAPK3 64/4885RPS6KA1 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.