SCHEMBL6836376

SCHEMBL6836376

Fc1ccc2c(Nc3cccc(Br)c3)ncnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
ABCG2 Q9UNQ0 1/20 0.58
FBP1 P09467 1/20 0.57
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
INCENP Q9NQS7 1/20 0.55
EPHB2 P29323 1/20 0.55

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
SCHEMBL6837272 0.84 EGFR (1.00) EGFRABCG2FBP1AURKAAURKB
SCHEMBL811077 0.84 EGFR (0.73) EGFRABCG2FBP1AURKAAURKB
SCHEMBL6833192 0.82 EGFR (1.00) EGFRABCG2FBP1AURKAAURKB
SCHEMBL6833180 0.81 EGFR (1.00) EGFRABCG2FBP1EPHB2
SCHEMBL6837611 0.81 EGFR (1.00) EGFRABCG2FBP1EPHB2
SCHEMBL250318 0.80 EGFR (1.00) EGFRABCG2FBP1AURKAAURKB
SCHEMBL6837207 0.79 EGFR (1.00) EGFRABCG2
SCHEMBL2995056 0.77 EGFR (0.74) EGFRABCG2FBP1EPHB2
SCHEMBL2988440 0.76 EGFR (1.00) EGFRABCG2FBP1
SCHEMBL3001417 0.76 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713484-B2 FUSED RING PYRIMIDINE DERIVATIVES; LOW CYTOTOXICITY WARNER-LAMBERT COMPANY 2004-03-30 US disclosed
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2003-10-02 US disclosed
US-6521620-B1 Suppressing tumors, especially breast cancers; antiproli-ferative agents; arthritis, vascular restenosis, psoriasis and angiogenesis; extremely low cytotoxicity WARNER-LAMBERT COMPANY 2003-02-18 US disclosed
US-6455534-B2 ANTIPROLIVERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; MITOGENESIS-ACTIVATED PROTEIN KINASE INHIBITORS; NONCYTOTOXIC; BINDING WITH HIGH AFFINITY AT THE ADENOSINE TRIPHOSPHATE BINDING SITE OF THE KINASES WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 EGFR 1/4885ABCG2 1323/4885FBP1 2540/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 EGFR 1/4885ABCG2 968/4885FBP1 1804/4885

“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.