SCHEMBL6364773

SCHEMBL6364773

Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.42
KDR P35968 4/20 0.41
MAPK14 Q16539 4/20 0.41
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
HASPIN Q8TF76 1/20 0.40
HTR6 P50406 1/20 0.39
SCN5A Q14524 1/20 0.39
MAT2A P31153 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL5789426 0.89 NPC1 (0.47) TGFBR1KDRMAPK14KDM4ENPC1
SCHEMBL5792573 0.84 TGFBR1 (0.45) TGFBR1KDRMAPK14DYRK1A
SCHEMBL5789474 0.84 CDK4 (0.46) TGFBR1KDRMAPK14GAAMAPT
SCHEMBL5791222 0.84 TGFBR1 (0.40) TGFBR1KDRMAPK14KDM4ENPC1
SCHEMBL5786433 0.83 TGFBR1 (0.47) TGFBR1KDRMAPK14
SCHEMBL5791351 0.82 TGFBR1 (0.44) TGFBR1KDRMAPK14NPC1ALDH1A1
SCHEMBL6324466 0.81 TGFBR1 (0.43) TGFBR1KDRMAPK14
SCHEMBL5787144 0.81 TGFBR1 (0.60) TGFBR1KDRMAPK14
SCHEMBL6372080 0.81 TGFBR1 (0.51) TGFBR1KDRMAPK14
SCHEMBL5805807 0.81 KDM4E (0.40) TGFBR1KDRMAPK14KDM4EGAA

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-20050234029-A1 Compounds DODIC NERINA 2005-10-20 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-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 TGFBR1 4/4885KDR 160/4885MAPK14 285/4885

“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.