SCHEMBL1098795

SCHEMBL1098795

COc1cc2c(Cl)ncnc2cc1OCCOC1CCCCO1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.58
EPHA2 P29317 13/20 0.49
KDR P35968 11/20 0.47
EPHB4 P54760 11/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ERBB2 P04626 1/20 0.41
KDM1A O60341 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL29354598 0.84 EPHA2 (0.47) ENPP1EPHA2KDREPHB4NPC1
SCHEMBL22441582 0.84 EPHA2 (0.47) ENPP1EPHA2KDREPHB4NPC1
SCHEMBL5177457 0.79 KDM4E (0.54) EPHA2KDREPHB4NPC1RAB9A
SCHEMBL16760347 0.78 EPHA2 (0.67) ENPP1EPHA2KDREPHB4ERBB2
SCHEMBL5177474 0.78 TRPA1 (0.43) EPHA2KDREPHB4ERBB2KDM1A
SCHEMBL1013021 0.77 ENPP1 (0.79) ENPP1EPHA2KDREPHB4
SCHEMBL1011724 0.77 ENPP1 (0.79) ENPP1KDRKDM1A
SCHEMBL662795 0.77 ENPP1 (0.79) ENPP1EPHA2KDREPHB4
SCHEMBL30053845 0.77 ENPP1 (0.79) ENPP1KDRKDM1A
SCHEMBL1010156 0.77 ENPP1 (0.79) ENPP1KDRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (3 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ENPP1 3166/4885EPHA2 3540/4885KDR 29/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 ENPP1 3031/4885EPHA2 3814/4885KDR 27/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 ENPP1 3092/4885EPHA2 3912/4885KDR 34/4885

“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.