SCHEMBL469136

SCHEMBL469136

COc1nccc(C)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.36
ACVRL1 P37023 3/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
ROS1 P08922 1/20 0.36
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
FTO Q9C0B1 3/20 0.34
CYP2D6 P10635 1/20 0.34
CARM1 Q86X55 2/20 0.34
TERT O14746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAD52 P43351 1/20 0.32
FASN P49327 1/20 0.32
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
PABPC1 P11940 1/20 0.31
ATAD2 Q6PL18 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
SCHEMBL441181 0.91 NTRK1 (0.35) NTRK1ACVRL1RETMETROS1
SCHEMBL439786 0.78 NTRK1 (0.46) NTRK1ACVRL1RETMETROS1
SCHEMBL14733128 0.76 NTRK1 (0.46) NTRK1ACVRL1RETMETROS1
SCHEMBL453972 0.70 NTRK1 (0.46) NTRK1ACVRL1RETMETROS1
SCHEMBL768194 0.70 NTRK1 (0.50) NTRK1ACVRL1RETROS1CARM1
SCHEMBL441176 0.69 NTRK1 (0.49) NTRK1ACVRL1RETROS1CARM1
SCHEMBL439629 0.68 NTRK1 (0.71) NTRK1ACVRL1RETMETROS1
SCHEMBL10181367 0.68 AMY1A (0.35) CARM1KDM4EALDH1A1
SCHEMBL439601 0.67 NTRK1 (0.79) NTRK1ACVRL1RETMETROS1
SCHEMBL10180734 0.67 NTRK1 (0.62) NTRK1ACVRL1RETMETROS1

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-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 NTRK1 65/4885ACVRL1 592/4885RET 11/4885

“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.