SCHEMBL5021169

SCHEMBL5021169

COc1cc(Cl)cc(C(C)Nc2cc(N3CCC(N(C)C)CC3)ccc2S(C)(=O)=O)c1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.63
EGFR P00533 3/20 0.42
ALK Q9UM73 11/20 0.41
ZAP70 P43403 1/20 0.39
SOS1 Q07889 2/20 0.38
STAT3 P40763 1/20 0.37
INSR P06213 2/20 0.37
IGF1R P08069 2/20 0.37
AURKA O14965 1/20 0.37
ROS1 P08922 1/20 0.37
EML4 Q9HC35 1/20 0.37
ACLY P53396 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.35

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
SCHEMBL1748333 0.92 HTR6 (0.75) HTR6EGFRALKZAP70STAT3
Hydrochloric Acid SCHEMBL1748461 0.91 HTR6 (0.74) HTR6EGFRALKZAP70STAT3
SCHEMBL5021168 0.87 HTR6 (0.68) HTR6EGFRALKZAP70INSR
SCHEMBL5021173 0.86 HTR6 (0.61) HTR6EGFRALKZAP70INSR
SCHEMBL1748198 0.81 HTR6 (0.50) HTR6EGFRALKZAP70SOS1
SCHEMBL1748378 0.78 HTR6 (0.73) HTR6EGFRALKZAP70INSR
SCHEMBL1748376 0.78 HTR6 (0.73) HTR6EGFRALKZAP70INSR
SCHEMBL1748377 0.78 HTR6 (0.73) HTR6EGFRALKZAP70INSR
SCHEMBL5053728 0.78 HTR6 (0.73) HTR6EGFRALKZAP70INSR
SCHEMBL1748393 0.78 HTR6 (0.82) HTR6EGFRALKZAP70INSR

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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885EGFR 485/4885ALK 658/4885

“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.