SCHEMBL6836729

SCHEMBL6836729

COc1ccc2ncnc(Nc3cccc(Br)c3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
KDM4E B2RXH2 1/20 0.60
GAK O14976 1/20 0.60
MAPK13 O15264 1/20 0.60
ABL1 P00519 1/20 0.60
ERBB2 P04626 1/20 0.60
CYP1A2 P05177 1/20 0.60
CDK1 P06493 1/20 0.60
CYP3A4 P08684 1/20 0.60
FBP1 P09467 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
SRC P12931 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
EPHB2 P29323 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDR P35968 1/20 0.60
MAPK12 P53778 1/20 0.60

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
SCHEMBL9116057 0.93 EGFR (0.87) EGFRKDM4EGAKMAPK13ABL1
SCHEMBL6837179 0.81 EGFR (1.00) EGFRERBB2EPHB2MKNK1ABCG2
SCHEMBL6836412 0.81 EGFR (1.00) EGFRKDM4EERBB2CYP1A2CYP3A4
SCHEMBL6837207 0.81 EGFR (1.00) EGFRABCG2
SCHEMBL2982644 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL6837323 0.81 EGFR (1.00) EGFR
SCHEMBL6833180 0.81 EGFR (1.00) EGFRKDM4EGAKMAPK13ABL1
SCHEMBL6837338 0.78 EGFR (1.00) EGFRKDM4EGAKMAPK13ABL1
SCHEMBL6833292 0.78 EGFR (1.00) EGFRKDM4EGAKMAPK13ABL1
SCHEMBL6836424 0.77 EGFR (1.00) EGFRFBP1ABCG2

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 1/4885KDM4E 1396/4885GAK 487/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 EGFR 1/4885KDM4E 1394/4885GAK 419/4885

“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.