SCHEMBL4034736

SCHEMBL4034736

COc1cc(OC2CCN(C)CC2)c2c(Nc3ccc4c(c3)c(Cl)cn4Cc3ccccn3)ncnc2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.62
ERBB2 P04626 4/20 0.59
KCNH2 Q12809 1/20 0.59
SRC P12931 5/20 0.57
KDR P35968 3/20 0.52

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
SCHEMBL4033486 0.88 EGFR (0.60) EGFRERBB2KCNH2SRCKDR
SCHEMBL4031274 0.87 EGFR (0.59) EGFRERBB2KCNH2SRCKDR
SCHEMBL4036185 0.81 EGFR (0.67) EGFRERBB2KCNH2SRCKDR
SCHEMBL4034184 0.79 EGFR (0.64) EGFRERBB2KCNH2SRCKDR
SCHEMBL4207674 0.78 EGFR (0.74) EGFRERBB2KCNH2SRCKDR
SCHEMBL4032293 0.78 EGFR (0.73) EGFRERBB2KCNH2SRCKDR
SCHEMBL4031490 0.78 ERBB2 (0.68) EGFRERBB2KCNH2SRC
SCHEMBL4034961 0.78 EGFR (0.81) EGFRERBB2KCNH2SRCKDR
SCHEMBL4034609 0.78 EGFR (1.00) EGFRERBB2SRCKDR
SCHEMBL4041273 0.77 EGFR (0.78) EGFRERBB2KCNH2SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US claimed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885ERBB2 1/4885KCNH2 1510/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885KCNH2 1844/4885

“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.