SCHEMBL12901776

SCHEMBL12901776

Cc1cc(Nc2ccccc2-c2ncccn2)c(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 2/20 0.40
TAS2R14 Q9NYV8 3/20 0.40
CHRM2 P08172 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAPK10 P53779 8/20 0.39
MAPK8 P45983 6/20 0.39
MAPK9 P45984 2/20 0.39
NTRK1 P04629 2/20 0.38
DHODH Q02127 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ULK1 O75385 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL1232358 0.84 MAPK10 (0.40) CYP1A2ALDH1A1CYP3A4CYP2C19TAS2R14
SCHEMBL12900857 0.81 NTRK1 (0.43) CYP1A2ALDH1A1CYP3A4CYP2C19MAPK10
SCHEMBL12901052 0.81 MEN1 (0.49) CYP1A2ALDH1A1CYP3A4CYP2C19MAPK10
SCHEMBL12900855 0.76 MAPK10 (0.45) ALDH1A1MAPK10MAPK8MAPK9TSHR
SCHEMBL12901794 0.75 MAPK10 (0.38) MAPK10MAPK8MAPK9KMT2ANPSR1
SCHEMBL12900858 0.75 MAPK10 (0.48) MAPK10MAPK8MAPK9DHODHHDAC6
SCHEMBL12900283 0.74 MAPK10 (0.66) MAPK10MAPK8MAPK9MAPK1
SCHEMBL12901775 0.74 DHODH (0.35) CYP1A2ALDH1A1MAPK10MAPK8NTRK1
SCHEMBL12900848 0.74 SLC22A12 (0.47) CYP1A2CYP3A4CYP2C19MAPK10MAPK8
SCHEMBL12901097 0.74 MAPK10 (0.47) MAPK10MAPK8MAPK9DHODHHDAC6

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 CYP1A2 4218/4885ALDH1A1 1557/4885CYP3A4 4163/4885

“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.