SCHEMBL3202634

SCHEMBL3202634

COc1cc2c(Oc3cccc4c3OCO4)ncnc2cc1OCCCS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
SRC P12931 8/20 0.50
KDM1A O60341 1/20 0.45
CSK P41240 2/20 0.43
TEK Q02763 2/20 0.43
EPHB4 P54760 1/20 0.43
EGFR P00533 2/20 0.42
RET P07949 1/20 0.42
KIF5B P33176 1/20 0.42
LCK P06239 1/20 0.42
ENPP1 P22413 1/20 0.42
RAF1 P04049 4/20 0.42
BRAF P15056 4/20 0.42
TRPA1 O75762 1/20 0.41

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
SCHEMBL3201199 0.86 SRC (0.51) KDRSRCCSKTEKEPHB4
SCHEMBL3204423 0.86 KDR (0.49) KDRSRCCSKTEKEPHB4
SCHEMBL5338388 0.85 SRC (0.52) KDRSRCCSKTEKEPHB4
Hydrochloric Acid SCHEMBL5214533 0.83 SRC (0.69) KDRSRCCSKTEKEPHB4
SCHEMBL3209969 0.83 KDR (0.64) KDRSRCCSKTEKEPHB4
SCHEMBL3195370 0.82 SRC (0.63) KDRSRCCSKTEKEPHB4
SCHEMBL3206699 0.82 SRC (0.74) KDRSRCCSKTEKEGFR
SCHEMBL4687330 0.81 SRC (0.39) KDRSRCCSKTEKEPHB4
SCHEMBL4381756 0.76 KDM1A (0.52) KDRKDM1ATEKEGFRRET
SCHEMBL4375160 0.74 KDM1A (0.56) KDRKDM1ATEKEGFRRET

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US claimed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US claimed
US-20050009850-A1 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2005-01-13 US claimed
EP-1451180-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE Astrazeneca AB (SE) 2004-09-01 EP claimed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2010-02-04 US disclosed
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
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US disclosed
US-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use ASTRAZENECA AB (SE) 2006-10-05 US 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
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
EP-1451180-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE Astrazeneca AB (SE) 2004-09-01 EP disclosed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
EP-1381599-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2004-01-21 EP disclosed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 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 (5 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-20040138240-A1 Quinazoline derivatives NQO2, WEE1, CMA1 KDR 3721/4885SRC 2365/4885KDM1A 413/4885
US-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use SRC, TEK, FLT4 KDR 5/4885SRC 1/4885KDM1A 2357/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 KDR 825/4885SRC 1/4885KDM1A 2353/4885
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE SRC, CHUK, CTTN KDR 10/4885SRC 1/4885KDM1A 1338/4885
US-20050009850-A1 Quinazoline compounds with therapeutic use CD4, HLA-DRB1, IL5 KDR 3728/4885SRC 3716/4885KDM1A 1733/4885

“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.