SCHEMBL3098892

SCHEMBL3098892

C=CC(=O)N(c1ccc2ncncc2c1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.57
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ AR P10275 1/20 0.38
▸ FGFR4 P22455 3/20 0.38
▸ NAMPT P43490 1/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ TDO2 P48775 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15825796 0.74 EGFR (1.00) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL15824972 0.69 EGFR (0.71) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL3126931 0.68 AR (0.55) EGFRAR
Hydrochloric Acid SCHEMBL28690143 0.67 EGFR (0.54) EGFRPIK3CDPIK3CAARNAMPT
SCHEMBL4312105 0.65 TSPO (0.51) EGFRPIK3CDPIK3CAARNAMPT
SCHEMBL13480994 0.65 EGFR (0.59) EGFRAR
SCHEMBL4156184 0.65 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
Acetic Acid SCHEMBL3176517 0.64 EGFR (0.50) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL3098888 0.64 EGFR (0.47) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL29906862 0.64 EGFR (0.53) EGFRPIK3CDPIK3CAARNAMPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 — — US disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 — — US disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 — — EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 — — WO 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885PIK3CD 684/4885PIK3CA 334/4885

“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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