SCHEMBL12901097

SCHEMBL12901097

Cc1cc(Nc2cccnc2C(=O)N(C)C)c(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.47
MAPK9 P45984 2/20 0.47
RAB9A P51151 1/20 0.43
DHODH Q02127 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK8 P45983 9/20 0.39
TACR1 P25103 1/20 0.39
METAP2 P50579 1/20 0.38
PDE10A Q9Y233 1/20 0.38
P2RY1 P47900 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL1231724 0.88 MAPK10 (0.46) MAPK10MAPK9RAB9ADHODHHDAC6
SCHEMBL12901056 0.86 MAPK10 (0.58) MAPK10MAPK9RAB9AMAPK8
SCHEMBL12900858 0.85 MAPK10 (0.48) MAPK10MAPK9DHODHHDAC6MAPK8
SCHEMBL1231892 0.75 MAPK9 (0.52) MAPK10MAPK9
SCHEMBL1231881 0.75 MAPK10 (0.64) MAPK10MAPK9
SCHEMBL12900855 0.75 MAPK10 (0.45) MAPK10MAPK9MAPK8
SCHEMBL12901776 0.74 CYP1A2 (0.41) MAPK10MAPK9DHODHHDAC6MAPK8
SCHEMBL28001490 0.74 NFE2L2 (0.44) RAB9ADHODHHDAC6TACR1
SCHEMBL1230848 0.74 MAPK10 (0.57) MAPK10MAPK9MAPK8
SCHEMBL12900283 0.73 MAPK10 (0.66) MAPK10MAPK9MAPK8

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 239/4885RAB9A 2475/4885

“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.