SCHEMBL6837276

SCHEMBL6837276

Nc1cc2nc(NCc3ccccc3)ncc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
APP P05067 3/20 0.51
RPS6KB1 P23443 1/20 0.48
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
DHFR P00374 2/20 0.46
ATM Q13315 1/20 0.46
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
UBE2N P61088 1/20 0.44
KMT2A Q03164 1/20 0.44
RCE1 Q9Y256 1/20 0.44
PDPK1 O15530 1/20 0.43
VNN1 O95497 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL27857007 0.79 RAD52 (0.56) APPRPS6KB1ATMRAD52NPSR1
SCHEMBL9116416 0.77 EGFR (0.54) EGFRAPPRPS6KB1ATMRAD52
SCHEMBL6839398 0.72 EGFR (1.00) EGFRLMNA
SCHEMBL20271337 0.72 BACE1 (0.51) APPNPSR1
SCHEMBL11060936 0.72 HTT (0.55) EGFRDHFRATMALDH1A1MAPT
SCHEMBL10999323 0.72 ATM (0.51) APPDHFRATMNPSR1VNN1
SCHEMBL10920047 0.71 F2 (0.51) EGFRDHFR
SCHEMBL17052991 0.71 EGFR (0.51) EGFRKDM4EALDH1A1MAPTKMT2A
SCHEMBL8127484 0.71 EGFR (0.50) EGFRAPPRPS6KB1ATMRAD52
SCHEMBL29893789 0.70 RAB9A (0.48) APPRPS6KB1ATMRAD52NPSR1

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 1/4885APP 4837/4885RPS6KB1 443/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 EGFR 1/4885APP 4859/4885RPS6KB1 582/4885

“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.