SCHEMBL20050106

SCHEMBL20050106

COC(=O)C(CNc1ncnc(Cl)c1N)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
P2RY2 P41231 1/20 0.38
RAB9A P51151 1/20 0.37
GALR3 O60755 1/20 0.37
EGFR P00533 2/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
CTSK P43235 1/20 0.35
KLK5 Q9Y337 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
TRPA1 O75762 1/20 0.34
ATR Q13535 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL15956011 0.90 PPARA (0.41) SYKP2RY2RAB9AGALR3EGFR
SCHEMBL3580317 0.90 PPARA (0.41) SYKP2RY2RAB9AGALR3EGFR
SCHEMBL3577414 0.86 CACNA1B (0.47) SYKP2RY2EGFRCTSKKLK5
SCHEMBL647288 0.77 KLK5 (0.40) P2RY2GSTP1GSTM2CTSKKLK5
SCHEMBL31398897 0.77 PPARA (0.41) SYKP2RY2EGFRTRPA1PPARG
SCHEMBL20050109 0.76 EGFR (0.32) SYKEGFR
SCHEMBL30132335 0.75 STK17B (0.60) RAB9AGALR3STK17BSTK17AKMT2A
SCHEMBL21591579 0.75 STK17B (0.60) RAB9AGALR3STK17BSTK17AKMT2A
SCHEMBL10129661 0.73 SYK (0.40) SYKP2RY2GSTP1GSTM2KLK5
SCHEMBL4399808 0.73 KLK5 (0.51) SYKCTSKKLK5PPARGPPARA

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-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 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-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 SYK 428/4885P2RY2 2071/4885RAB9A 843/4885

“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.