SCHEMBL6766599

SCHEMBL6766599

Cn1c(C=O)cnc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.61
EGFR P00533 13/20 0.61
ERBB4 Q15303 2/20 0.57
CHEK2 O96017 1/20 0.57
ROS1 P08922 1/20 0.57
FLT3 P36888 1/20 0.57
AURKB Q96GD4 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57

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
Dimethylamine SCHEMBL6764125 0.88 EGFR (0.63) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL6764120 0.84 EGFR (0.59) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL6768833 0.83 EGFR (0.64) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL6769985 0.82 EGFR (0.57) ERBB2EGFRERBB4CHEK2ROS1
Hydrochloric Acid SCHEMBL6766752 0.82 EGFR (0.63) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL6767429 0.82 EGFR (0.56) ERBB2EGFRERBB4CHEK2ROS1
Dimethylamine SCHEMBL6767938 0.80 EGFR (0.63) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL1502181 0.79 EGFR (0.64) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL6767222 0.79 EGFR (0.64) ERBB2EGFRERBB4CHEK2ROS1
SCHEMBL6663913 0.79 EGFR (0.79) ERBB2EGFRERBB4CHEK2ROS1

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
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP claimed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK ERBB2 35/4885EGFR 354/4885ERBB4 141/4885

“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.