SCHEMBL3671573

SCHEMBL3671573

COc1cc2c(Nc3cccc4occ(Cl)c34)ncnc2cc1OCC(CN1CCOCC1)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.56
EGFR P00533 7/20 0.54
SRC P12931 10/20 0.53
KCNH2 Q12809 2/20 0.49
BRAF P15056 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
SCHEMBL3674395 0.95 KDR (0.49) KDREGFRSRC
SCHEMBL3675120 0.94 KDR (0.48) KDREGFRSRC
SCHEMBL3673963 0.91 KDR (0.46) KDREGFRSRCKCNH2
Hydrochloric Acid SCHEMBL6449945 0.89 KDR (0.69) KDREGFRSRCKCNH2
Hydrochloric Acid SCHEMBL6488286 0.87 SRC (0.68) KDREGFRSRC
SCHEMBL3679860 0.86 SRC (0.70) KDREGFRSRCKCNH2
Hydrochloric Acid SCHEMBL6879639 0.85 SRC (0.69) KDREGFRSRCKCNH2
SCHEMBL3673766 0.84 KDR (0.62) KDREGFRSRC
SCHEMBL6055470 0.84 EGFR (0.46) KDREGFR
SCHEMBL3677434 0.84 KDR (0.61) KDREGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US claimed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US claimed
EP-1562612-B1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE FOR USE IN THE TREATMENT OR PROPHLAXIX OF PANCREATIC CANCER ASTRAZENECA AB (SE) 2010-01-27 EP disclosed
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 US disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 KDR 2216/4885EGFR 1832/4885SRC 2778/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 KDR 825/4885EGFR 155/4885SRC 1/4885

“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.