SCHEMBL6837338

SCHEMBL6837338

COc1cc2ncnc(Nc3cccc(Br)c3)c2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 2/20 0.70
EPHB2 P29323 2/20 0.70
ABCG2 Q9UNQ0 2/20 0.70
KDM4E B2RXH2 1/20 0.70
GAK O14976 1/20 0.70
MAPK13 O15264 1/20 0.70
ABL1 P00519 1/20 0.70
CYP1A2 P05177 1/20 0.70
CDK1 P06493 1/20 0.70
CYP3A4 P08684 1/20 0.70
FBP1 P09467 1/20 0.70
CYP2D6 P10635 1/20 0.70
MAPT P10636 1/20 0.70
CYP2C9 P11712 1/20 0.70
SRC P12931 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
KDR P35968 1/20 0.70

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
SCHEMBL6833292 0.90 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
SCHEMBL9423 0.82 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
SCHEMBL29444884 0.82 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
SCHEMBL30363011 0.82 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
Hydrochloric Acid SCHEMBL30362813 0.81 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
Hydrochloric Acid SCHEMBL93918 0.81 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
Hydrochloric Acid SCHEMBL29369196 0.81 EGFR (1.00) EGFRERBB2EPHB2ABCG2KDM4E
SCHEMBL6837859 0.81 EGFR (1.00) EGFRERBB2EPHB2MKNK1
SCHEMBL2986222 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL3001417 0.81 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 1/4885ERBB2 2/4885EPHB2 285/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885EPHB2 194/4885

“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.