SCHEMBL8556847

SCHEMBL8556847

COc1cc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 10/20 1.00
EGFR P00533 12/20 0.76
ERBB4 Q15303 6/20 0.76
KDR P35968 2/20 0.63
EPHA2 P29317 1/20 0.63
EPHB4 P54760 1/20 0.63
RET P07949 1/20 0.59
LCK P06239 1/20 0.58
CLK1 P49759 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56

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
Hydrochloric Acid SCHEMBL8596174 0.99 ERBB2 (0.98) ERBB2EGFRERBB4KDREPHA2
SCHEMBL8595567 0.92 ERBB2 (0.86) ERBB2EGFRERBB4KDREPHA2
Hydrochloric Acid SCHEMBL8558936 0.91 ERBB2 (0.84) ERBB2EGFRERBB4KDREPHA2
SCHEMBL8560791 0.91 ERBB2 (0.84) ERBB2EGFRERBB4KDREPHA2
Hydrochloric Acid SCHEMBL8895186 0.91 ERBB2 (0.83) ERBB2EGFRERBB4KDREPHA2
SCHEMBL9910677 0.86 ERBB2 (0.75) ERBB2EGFRERBB4KDREPHA2
SCHEMBL8554934 0.85 ERBB2 (1.00) ERBB2EGFRERBB4ABCG2
SCHEMBL31061496 0.85 ERBB2 (1.00) ERBB2EGFRERBB4ABCG2
Hydrochloric Acid SCHEMBL8597573 0.84 ERBB2 (0.98) ERBB2EGFRERBB4LCK
SCHEMBL8555349 0.84 ERBB2 (1.00) ERBB2EGFRERBB4KDRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP claimed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 WO claimed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 US disclosed
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 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 (1 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-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 ERBB2 54/4885EGFR 382/4885ERBB4 316/4885

“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.