SCHEMBL2995000

SCHEMBL2995000

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.67
▸ EGFR P00533 18/20 0.64
▸ ERBB2 P04626 3/20 0.51
▸ ERBB4 Q15303 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ MAPK13 O15264 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ EPHB2 P29323 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL2985880 0.92 FBP1 (0.54) FBP1EGFRSRCKDRABCG2
SCHEMBL7852032 0.91 FBP1 (0.67) FBP1EGFRERBB2ERBB4KDM4E
SCHEMBL2998293 0.86 EGFR (0.61) FBP1EGFRERBB2ERBB4KDM4E
SCHEMBL7845010 0.82 FBP1 (0.55) FBP1EGFRERBB2ERBB4KDM4E
SCHEMBL7844855 0.82 FBP1 (0.55) FBP1EGFRERBB2ERBB4KDM4E
SCHEMBL2994995 0.82 EGFR (0.68) FBP1EGFRERBB2SRCKDR
SCHEMBL2996285 0.81 EGFR (0.71) EGFRERBB2ERBB4GAKABL1
SCHEMBL17940088 0.79 EGFR (1.00) FBP1EGFRERBB2ERBB4KDM4E
SCHEMBL7854521 0.78 EGFR (0.59) FBP1EGFRERBB2ERBB4KDM4E
SCHEMBL2991327 0.78 EGFR (0.53) EGFRERBB2SRCMAPK1KDR

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 12 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-1131304-B1 N- 4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-12-04 — — EP disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 — — EP disclosed
US-6344455-B1 TREATING CANCER, ATHEROSCLEROSIS, RESTENOSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 — — US disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 — — US disclosed
EP-1131304-A1 N- 4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2001-09-12 — — EP disclosed
WO-2000031048-A1 N-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2000-06-02 — — WO 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 26/4885ERBB2 1/4885

“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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