SCHEMBL4883773

SCHEMBL4883773

CCNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 1.00
EGFR P00533 9/20 0.86
GAK O14976 1/20 0.86
RIPK2 O43353 1/20 0.86
LYN P07948 1/20 0.86
RET P07949 1/20 0.86
EPHA1 P21709 1/20 0.86
ERBB3 P21860 1/20 0.86
EPHA2 P29317 1/20 0.86
EPHB2 P29323 1/20 0.86
EPHA5 P54756 1/20 0.86
EPHB4 P54760 1/20 0.86
EPHA4 P54764 1/20 0.86
ADK P55263 1/20 0.86
PTK6 Q13882 1/20 0.86
RIPK3 Q9Y572 1/20 0.86

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
Sapitinib SCHEMBL29728247 0.93 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
Sapitinib SCHEMBL202358 0.93 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
Sapitinib SCHEMBL30362790 0.93 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4884298 0.92 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4884254 0.91 ERBB2 (0.87) ERBB2EGFRGAKRIPK2LYN
SCHEMBL29731571 0.91 ERBB2 (0.87) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4887265 0.91 ERBB2 (0.85) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4888170 0.91 ERBB2 (0.85) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3129641 0.90 ERBB2 (1.00) ERBB2EGFRGAKRIPK2LYN
Hydrochloric Acid SCHEMBL4878789 0.90 ERBB2 (0.86) ERBB2EGFRGAKRIPK2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 US claimed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 EP claimed
EP-1667992-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP claimed
WO-2005028469-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 WO claimed
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 US disclosed
US-8318752-B2 antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases ASTRAZENECA AB (SE) 2012-11-27 US disclosed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
EP-1667992-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005028469-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 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 (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-20120329795-A1 QUINAZOLINE DERIVATIVES EGFR, ERBB2, ERBB3 ERBB2 2/4885EGFR 1/4885GAK 227/4885
US-20080096881-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 ERBB2 2/4885EGFR 1/4885GAK 204/4885

“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.