SCHEMBL4035826

SCHEMBL4035826

CN1CCN(CCOc2cc(OC3CCOC3)c3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.67
ERBB2 P04626 6/20 0.65
SRC P12931 5/20 0.57
KDR P35968 4/20 0.56
BMPR1B O00238 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
RIPK2 O43353 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
YES1 P07947 1/20 0.56
LYN P07948 1/20 0.56
RET P07949 1/20 0.56
HCK P08631 1/20 0.56
PDGFRB P09619 1/20 0.56
FGR P09769 1/20 0.56
KIT P10721 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
SCHEMBL4353837 0.97 EGFR (0.72) EGFRERBB2SRCKDR
SCHEMBL4032406 0.96 EGFR (0.73) EGFRERBB2SRCKDRBMPR1B
SCHEMBL5663287 0.95 EGFR (0.61) EGFRERBB2SRCKDR
SCHEMBL4032058 0.94 EGFR (0.60) EGFRERBB2SRCKDR
SCHEMBL4038463 0.93 EGFR (0.78) EGFRERBB2SRCKDRBMPR1B
SCHEMBL4031623 0.92 EGFR (0.66) EGFRERBB2SRCKDR
SCHEMBL4212310 0.91 EGFR (0.63) EGFRERBB2SRCKDRLCK
Hydrochloric Acid SCHEMBL4032894 0.91 EGFR (0.70) EGFRERBB2SRCKDRBMPR1B
SCHEMBL4031917 0.90 EGFR (0.62) EGFRERBB2SRCKDRGAK
SCHEMBL4031352 0.90 EGFR (0.70) EGFRERBB2SRCKDRGAK

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
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 1/4885SRC 111/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885SRC 39/4885

“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.