SCHEMBL6767948

SCHEMBL6767948

CN(C)Cc1cnc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.60
ERBB2 P04626 12/20 0.60
AURKB Q96GD4 3/20 0.56
CHEK2 O96017 1/20 0.56
ROS1 P08922 1/20 0.56
FLT3 P36888 1/20 0.56
ERBB4 Q15303 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
INCENP Q9NQS7 1/20 0.48

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
SCHEMBL7008019 0.88 ERBB2 (0.57) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6766845 0.84 EGFR (0.55) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6764120 0.82 EGFR (0.59) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL8458493 0.81 ERBB2 (0.57) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6766836 0.79 EGFR (0.72) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6767256 0.79 EGFR (0.66) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6766860 0.79 EGFR (0.59) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6768660 0.78 EGFR (0.65) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL8458496 0.78 ERBB2 (0.55) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL6768257 0.77 EGFR (0.68) 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 3 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

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.