SCHEMBL2985880

SCHEMBL2985880

CCC(Oc1cc2ncnc(Nc3cccc(C)c3)c2cc1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.54
▸ EGFR P00533 15/20 0.51
▸ KDR P35968 2/20 0.49
▸ BRAF P15056 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ SRC P12931 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2995000 0.92 FBP1 (0.67) FBP1EGFRKDRABCG2SRC
SCHEMBL2991327 0.86 EGFR (0.53) EGFRKDRBRAFSRC
SCHEMBL2985878 0.83 EGFR (0.68) FBP1EGFRKDRBRAFSRC
SCHEMBL7852032 0.82 FBP1 (0.67) FBP1EGFRKDRABCG2SRC
SCHEMBL2989673 0.81 EGFR (0.72) EGFRKDRBRAFSRC
SCHEMBL8870749 0.80 ALDH1A1 (0.60) FBP1EGFRKDRBRAFL3MBTL1
SCHEMBL8088219 0.78 EGFR (0.79) FBP1EGFRKDRABCG2SRC
SCHEMBL2998293 0.78 EGFR (0.61) FBP1EGFRKDRABCG2SRC
SCHEMBL17538542 0.77 FBP1 (0.68) FBP1EGFRABCG2
SCHEMBL7845010 0.75 FBP1 (0.55) FBP1EGFRKDRABCG2SRC

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 8 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
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 — — EP disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 — — US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 — — US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 — — EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 — — 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 FBP1 4232/4885EGFR 26/4885KDR 152/4885

“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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