SCHEMBL12901818

SCHEMBL12901818

COc1ccc(S)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.40
MAPK9 P45984 5/20 0.40
MAPK8 P45983 1/20 0.37
PTK2 Q05397 5/20 0.36
ULK1 O75385 1/20 0.35
EGFR P00533 1/20 0.35
CNR2 P34972 2/20 0.34
TTK P33981 1/20 0.34
MAPK3 P27361 1/20 0.34
KDR P35968 2/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2B Q14289 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
TEK Q02763 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL12886420 0.90 EGFR (0.41) MAPK10MAPK9MAPK8PTK2EGFR
SCHEMBL12887627 0.90 MAPK10 (0.40) MAPK10MAPK9MAPK8PTK2ULK1
SCHEMBL12886446 0.85 KDR (0.42) KDR
SCHEMBL12887630 0.79 PTK2 (0.51) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL12886422 0.78 PTK2 (0.39) MAPK10MAPK9MAPK8PTK2JAK2
SCHEMBL12886426 0.78 MAPK10 (0.61) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL1231788 0.73 CYP1A2 (0.31) PTK2ULK1
SCHEMBL12886428 0.69 ABL1 (0.44) MAPK10MAPK9KDRTEK
SCHEMBL15342879 0.67 MAPK10 (0.45) MAPK10MAPK9MAPK8PTK2EGFR
SCHEMBL15339340 0.67 MAPK10 (0.45) MAPK10MAPK9MAPK8PTK2CNR2

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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 MAPK10 590/4885MAPK9 239/4885MAPK8 558/4885

“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.