SCHEMBL13945250

SCHEMBL13945250

CN(CC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2c(ccn2Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 13/20 0.44
▸ F2 P00734 2/20 0.42
▸ KLKB1 P03952 5/20 0.39
▸ KLK1 P06870 2/20 0.39
▸ LCK P06239 2/20 0.39

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
SCHEMBL12340165 0.88 F2R (0.49) F2RF2KLKB1LCK
SCHEMBL12340166 0.74 KLKB1 (0.41) F2RKLKB1LCK
SCHEMBL14583980 0.74 F2R (0.57) F2RF2KLKB1
SCHEMBL12340155 0.73 F2R (0.67) F2RF2
SCHEMBL12340171 0.72 F7 (0.43) F2RKLKB1LCK
SCHEMBL13945253 0.71 F2R (0.74) F2RF2
SCHEMBL12340177 0.71 F2R (0.63) F2RF2
SCHEMBL14583974 0.70 F2R (0.53) F2RF2
SCHEMBL12340158 0.69 F2R (0.65) F2RF2
SCHEMBL6632071 0.69 F2R (0.41) F2RF2KLKB1KLK1

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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — 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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 F2R 2248/4885F2 475/4885KLKB1 2028/4885

“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.

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