SCHEMBL6766845

SCHEMBL6766845

CN1CCN(Cc2cnc(-c3ccc4ncnc(Nc5ccc(OCc6ccccc6)cc5)c4c3)[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.55
ERBB2 P04626 12/20 0.55
AURKB Q96GD4 2/20 0.51
CHEK2 O96017 1/20 0.51
ROS1 P08922 1/20 0.51
FLT3 P36888 1/20 0.51
ERBB4 Q15303 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
PRMT5 O14744 1/20 0.47
INCENP Q9NQS7 1/20 0.46

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
SCHEMBL7007455 0.89 ERBB2 (0.53) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6767948 0.84 EGFR (0.60) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6767429 0.83 EGFR (0.56) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6766833 0.83 ERBB2 (0.68) EGFRERBB2
SCHEMBL6773404 0.79 EGFR (0.56) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL4763910 0.78 PRMT5 (0.66) EGFRERBB2AURKBERBB4PRMT5
SCHEMBL1502181 0.77 EGFR (0.64) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6768660 0.76 EGFR (0.65) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL7013188 0.76 ERBB2 (0.53) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL7888585 0.76 EGFR (0.61) EGFRERBB2AURKBCHEK2ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US 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 EGFR 354/4885ERBB2 35/4885AURKB 175/4885

“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.