SCHEMBL1810090

SCHEMBL1810090

CCOc1cc(OC)cc2ncnc(Cl)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.55
SRC P12931 3/20 0.45
ALDH1A1 P00352 2/20 0.42
EGFR P00533 6/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKA O14965 1/20 0.38
ELANE P08246 1/20 0.37
CALM1 P0DP23 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FBP1 P09467 1/20 0.34

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
SCHEMBL13499097 0.88 ENPP1 (0.57) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL3180915 0.88 ENPP1 (0.55) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL30353909 0.87 SRC (0.56) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL1803647 0.87 SRC (0.56) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL3182426 0.85 ENPP1 (0.44) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL16086933 0.85 ENPP1 (0.44) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL12003580 0.81 EGFR (0.57) ENPP1SRCEGFRNPC1RAB9A
SCHEMBL31204374 0.80 ENPP1 (0.49) ENPP1ALDH1A1EGFRKMT2ALMNA
SCHEMBL15900262 0.76 EGFR (0.44) ENPP1SRCALDH1A1EGFRNPC1
SCHEMBL27755086 0.75 ALDH1A1 (0.59) ENPP1SRCALDH1A1EGFRLMNA

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 4242/4885SRC 3782/4885ALDH1A1 1930/4885

“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.