SCHEMBL12901775

SCHEMBL12901775

Cc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LRRK2 Q5S007 3/20 0.33
ULK1 O75385 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTK2 Q05397 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
NTRK1 P04629 1/20 0.30
P2RY1 P47900 1/20 0.30

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
SCHEMBL1231788 0.85 CYP1A2 (0.31) LRRK2ULK1ALDH1A1CYP1A2PTK2
SCHEMBL12886422 0.78 PTK2 (0.39) ALDH1A1MEN1MAPTKMT2APTK2
SCHEMBL12887627 0.78 MAPK10 (0.40) ULK1MEN1KMT2APTK2MAPK8
SCHEMBL12886420 0.76 EGFR (0.41) ALDH1A1CYP1A2MEN1GAAMAPT
SCHEMBL12901818 0.75 MAPK10 (0.40) ULK1PTK2MAPK8MAPK10NTRK1
SCHEMBL12901776 0.74 CYP1A2 (0.41) DHODHHDAC6ULK1ALDH1A1CYP1A2
SCHEMBL12886446 0.71 KDR (0.42)
SCHEMBL12901052 0.71 MEN1 (0.49) ULK1ALDH1A1CYP1A2MEN1MAPT
SCHEMBL12886428 0.71 ABL1 (0.44) NPSR1MAPK10
SCHEMBL12886426 0.70 MAPK10 (0.61) ULK1PTK2MAPK10

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 DHODH 531/4885HDAC6 585/4885LRRK2 1567/4885

“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.