SCHEMBL2997470

SCHEMBL2997470

O=[N+]([O-])c1cc2ncnc(Cl)c2cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
PGK1 P00558 1/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
PDGFRB P09619 1/20 0.39
VCAM1 P19320 3/20 0.39
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ENPP1 P22413 1/20 0.38

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
SCHEMBL1469486 0.95 EGFR (0.54) EGFRPGK1TSHRMAPK1ALDH1A1
SCHEMBL30275314 0.95 EGFR (0.54) EGFRPGK1TSHRMAPK1ALDH1A1
SCHEMBL29719180 0.82 EGFR (0.41) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL22983685 0.82 EGFR (0.41) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL29719028 0.82 EGFR (0.41) EGFRALDH1A1VCAM1LMNAMAPT
SCHEMBL12488021 0.82 EGFR (0.46) EGFRALDH1A1MAPTPDE4APDE4B
SCHEMBL14579636 0.82 GAA (0.43) EGFRTSHRALDH1A1CYP3A4MAPT
SCHEMBL25409 0.82 EGFR (0.41) EGFRALDH1A1VCAM1LMNAMAPT
SCHEMBL20127277 0.82 EGFR (0.52) EGFRTSHRALDH1A1CYP3A4PDGFRB
SCHEMBL16082531 0.81 EGFR (0.51) EGFRPGK1TSHRMAPK1ALDH1A1

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 EGFR 26/4885PGK1 522/4885TSHR 1654/4885

“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.