SCHEMBL6839115

SCHEMBL6839115

c1ccc(Nc2ncnc3ccncc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.70
DAPK3 O43293 1/20 0.68
MAP4K4 O95819 1/20 0.68
ABL1 P00519 1/20 0.68
ERBB2 P04626 1/20 0.68
PIM1 P11309 1/20 0.68
PRKACA P17612 1/20 0.68
LTK P29376 1/20 0.68
MAPK8 P45983 1/20 0.68
CSNK1A1 P48729 1/20 0.68
RPS6KA3 P51812 1/20 0.68
LIMK1 P53667 1/20 0.68
MAP2K1 Q02750 1/20 0.68
ACVR1 Q04771 1/20 0.68
TYRO3 Q06418 1/20 0.68
MAP4K2 Q12851 1/20 0.68
ROCK1 Q13464 1/20 0.68
DYRK1A Q13627 1/20 0.68
MAPK14 Q16539 1/20 0.68
LRRK2 Q5S007 1/20 0.68

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
SCHEMBL868880 0.87 EGFR (0.70) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL6833178 0.83 EGFR (1.00) EGFRERBB2ABCG2
SCHEMBL27458590 0.83 EGFR (0.72) EGFRMAP4K4ABL1ERBB2MAPK14
Hydrochloric Acid SCHEMBL7653340 0.82 EGFR (0.71) EGFRMAP4K4ABL1ERBB2MAPK14
SCHEMBL8920 0.81 EGFR (1.00) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL29941271 0.81 EGFR (1.00) EGFRDAPK3MAP4K4ABL1ERBB2
SCHEMBL27511964 0.81 EGFR (0.69) EGFRDAPK3ABL1ERBB2PIM1
SCHEMBL6823372 0.80 EGFR (0.77) EGFRDAPK3MAP4K4ABL1ERBB2
Hydrochloric Acid SCHEMBL7537017 0.80 EGFR (0.67) EGFRDAPK3ABL1ERBB2PIM1
Hydrochloric Acid SCHEMBL20856873 0.80 EGFR (0.96) EGFRDAPK3MAP4K4ABL1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784174-B1 INHIBITORS OF THE PRODUCTION OF CYTOKINES SUCH AS TNF ASTRAZENECA AB (SE) 2004-08-31 US disclosed
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
EP-1165566-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASE ASTRAZENECA AB (SE) 2003-08-20 EP 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 1/4885DAPK3 768/4885MAP4K4 413/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 EGFR 1/4885DAPK3 1002/4885MAP4K4 606/4885

“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.