SCHEMBL2995056

SCHEMBL2995056

Fc1ccc2c(Nc3cccc(Br)c3)ncnc2c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.74
ABCG2 Q9UNQ0 1/20 0.71
EPHB2 P29323 1/20 0.70
FBP1 P09467 1/20 0.66

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
SCHEMBL2986298 0.85 EGFR (1.00) EGFRABCG2EPHB2FBP1
SCHEMBL5569052 0.84 EGFR (0.70) EGFRABCG2
SCHEMBL5569454 0.84 EGFR (0.74) EGFRABCG2FBP1
SCHEMBL2992623 0.83 EGFR (1.00) EGFRABCG2EPHB2FBP1
Hydrochloric Acid SCHEMBL11087812 0.83 EGFR (0.68) EGFRABCG2
SCHEMBL3001417 0.83 EGFR (1.00) EGFRABCG2FBP1
Hydrochloric Acid SCHEMBL9017036 0.82 EGFR (0.97) EGFRABCG2EPHB2FBP1
SCHEMBL5568259 0.81 EGFR (0.65) EGFRABCG2
SCHEMBL27906527 0.81 EGFR (0.81) EGFRABCG2FBP1
SCHEMBL2988440 0.80 EGFR (1.00) EGFRABCG2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP claimed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO claimed
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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US disclosed
EP-1673346-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC Biotech AG (DE) 2006-06-28 EP disclosed
WO-2005040125-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF HERPESVIRAL INFECTIONS GPC BIOTECH AG (DE) 2005-05-06 WO 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 (2 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 26/4885ABCG2 663/4885EPHB2 320/4885
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT EGFR 1445/4885ABCG2 311/4885EPHB2 2344/4885

“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.