SCHEMBL5021173

SCHEMBL5021173

COc1cc(Cl)cc(C(C)Nc2cc(N3CC[C@H](N)C3)ccc2S(C)(=O)=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.61
ALK Q9UM73 2/20 0.37
EGFR P00533 1/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND1 P24385 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
SUV39H2 Q9H5I1 3/20 0.35
ACLY P53396 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
DDR1 Q08345 2/20 0.34
HTR2B P41595 1/20 0.34
ZAP70 P43403 1/20 0.34
GHSR Q92847 1/20 0.33
DPP4 P27487 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL1748376 0.92 HTR6 (0.73) HTR6ALKEGFRCDK1CDK4
SCHEMBL1748378 0.92 HTR6 (0.73) HTR6ALKEGFRCDK1CDK4
SCHEMBL5053728 0.92 HTR6 (0.73) HTR6ALKEGFRCDK1CDK4
SCHEMBL1748377 0.92 HTR6 (0.73) HTR6ALKEGFRCDK1CDK4
Hydrochloric Acid SCHEMBL1748674 0.91 HTR6 (0.72) HTR6ALKEGFRCDK1CDK4
Hydrochloric Acid SCHEMBL1748673 0.91 HTR6 (0.72) HTR6ALKEGFRCDK1CDK4
Hydrochloric Acid SCHEMBL1748672 0.91 HTR6 (0.72) HTR6ALKEGFRCDK1CDK4
SCHEMBL5021169 0.86 HTR6 (0.63) HTR6ALKEGFRSUV39H2ACLY
SCHEMBL5021168 0.85 HTR6 (0.68) HTR6ALKEGFRCDK1CDK4
SCHEMBL1748333 0.78 HTR6 (0.75) HTR6ALKEGFRSUV39H2ACLY

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 1/4885ALK 658/4885EGFR 485/4885

“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.