SCHEMBL12902136

SCHEMBL12902136

CNC(=O)c1ccncc1Nc1cc(C)ncc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.51
MAPK1 P28482 2/20 0.51
MAPK9 P45984 10/20 0.50
MAPK10 P53779 10/20 0.50
PTK2 Q05397 4/20 0.46
NUDT1 P36639 1/20 0.43
ULK1 O75385 1/20 0.41
LRRK2 Q5S007 1/20 0.41
POLQ O75417 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1232803 0.87 MAPK10 (0.49) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL12900283 0.86 MAPK10 (0.66) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL12901104 0.82 MAPK3 (0.53) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL12900862 0.81 MAPK3 (0.58) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL12900858 0.79 MAPK10 (0.48) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL1232347 0.78 NUDT1 (0.58) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL1231919 0.75 MAPK9 (0.56) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL20320529 0.75 MAPT (0.45) MAPK3MAPK1MAPK9MAPK10PTK2
SCHEMBL1417632 0.75 POLB (0.46) PTK2NUDT1ULK1LMNAPOLB
SCHEMBL1231920 0.73 MAPK10 (0.72) MAPK3MAPK1MAPK9MAPK10PTK2

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 MAPK3 185/4885MAPK1 205/4885MAPK9 239/4885

“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.