SCHEMBL3679981

SCHEMBL3679981

COc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.65
KDR P35968 7/20 0.65
AURKA O14965 1/20 0.59
EGFR P00533 4/20 0.54
FGFR2 P21802 1/20 0.49
RET P07949 5/20 0.47
KIF5B P33176 2/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
EPHA2 P29317 1/20 0.46
EPHB4 P54760 1/20 0.46

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
SCHEMBL3680668 0.99 SRC (0.65) SRCKDRAURKAEGFRFGFR2
SCHEMBL3679562 0.93 SRC (0.75) SRCKDRAURKAEGFRFGFR2
SCHEMBL3669402 0.90 SRC (0.60) SRCKDRAURKAEGFRRET
SCHEMBL3673784 0.85 SRC (0.86) SRCKDREGFRFGFR1FLT1
SCHEMBL3673829 0.85 SRC (0.88) SRCKDREGFRFGFR1FLT1
SCHEMBL3671075 0.84 KDR (0.66) SRCKDRAURKAEGFRRET
SCHEMBL3679989 0.84 AURKA (0.58) SRCKDRAURKAEGFRFGFR2
SCHEMBL3198191 0.83 SRC (0.65) SRCKDRAURKAEGFRRET
SCHEMBL3669671 0.83 KDR (0.58) SRCKDREGFRRETKIF5B
SCHEMBL3669463 0.83 KDR (0.67) SRCKDRAURKAEGFRRET

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-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-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO 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
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 SRC 2778/4885KDR 2216/4885AURKA 1496/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 SRC 1/4885KDR 825/4885AURKA 399/4885

“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.