SCHEMBL1807216

SCHEMBL1807216

COc1cc2ncnc(Cl)c2c(Cl)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.48
AURKA O14965 1/20 0.44
LCK P06239 2/20 0.43
EGFR P00533 7/20 0.42
SRC P12931 3/20 0.42
GAK O14976 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PDE5A O76074 1/20 0.41
TNF P01375 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
FGFR4 P22455 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL1806077 0.88 ENPP1 (0.49) ENPP1AURKALCKEGFRSRC
SCHEMBL17253620 0.84 TNF (0.38) ENPP1AURKAEGFRPDGFRBPDGFRA
SCHEMBL16689300 0.77 SMN1; SMN2 (0.44) EGFRTNFKDRALDH1A1KDM4E
SCHEMBL30353909 0.75 SRC (0.56) ENPP1AURKALCKEGFRSRC
SCHEMBL8807809 0.75 EGFR (0.48) ENPP1AURKALCKEGFRSRC
SCHEMBL1803647 0.75 SRC (0.56) ENPP1AURKALCKEGFRSRC
SCHEMBL28895471 0.75 CYP2D6 (0.53) AURKALCKEGFRSRCGAK
SCHEMBL17241177 0.74 ENPP1 (0.37) ENPP1AURKAEGFRPDGFRBTNF
SCHEMBL31204485 0.73 ENPP1 (0.44) ENPP1AURKAEGFRSRCGAK
SCHEMBL6912439 0.72 SRC (0.45) EGFRSRCPDGFRBTNFKDR

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-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (1 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR ENPP1 4242/4885AURKA 918/4885LCK 2801/4885

“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.