SCHEMBL5361653

SCHEMBL5361653

COc1ccc2[nH]cc(C=C3C(=O)Nc4ccc(Br)c(C)c43)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.63
NTRK3 Q16288 3/20 0.63
NTRK2 Q16620 3/20 0.63
PRKD3 O94806 2/20 0.63
ABL1 P00519 2/20 0.63
RET P07949 2/20 0.63
PDGFRB P09619 2/20 0.63
LTK P29376 2/20 0.63
KDR P35968 2/20 0.63
FLT3 P36888 2/20 0.63
CSNK1A1 P48729 2/20 0.63
CDK7 P50613 2/20 0.63
MAP2K1 Q02750 2/20 0.63
MST1R Q04912 2/20 0.63
AURKB Q96GD4 2/20 0.63
CLK4 Q9HAZ1 2/20 0.63
ALK Q9UM73 2/20 0.63
MAP2K2 P36507 1/20 0.63
CDK8 P49336 1/20 0.63
SYK P43405 2/20 0.61

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
SCHEMBL7132142 0.86 NTRK1 (0.58) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL7780481 0.82 NTRK1 (0.83) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL5361625 0.81 MDM2 (0.53) NTRK1NTRK3NTRK2RETSYK
SCHEMBL5357671 0.81 LRRK2 (0.51) NTRK1NTRK3NTRK2RETSYK
SCHEMBL14448937 0.78 NTRK1 (1.00) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL5472269 0.78 NTRK1 (1.00) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL5373328 0.78 LRRK2 (0.52) NTRK1RETCSNK1A1CYP1A2CYP2C19
SCHEMBL5201532 0.78 NTRK1 (1.00) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL5203073 0.77 NTRK1 (0.75) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL5201825 0.77 NTRK1 (0.75) NTRK1NTRK3NTRK2PRKD3ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK NTRK1 223/4885NTRK3 358/4885NTRK2 467/4885

“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.