SCHEMBL3428778

SCHEMBL3428778

[O]CCN1CCCC1CO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SPHK2 Q9NRA0 7/20 0.45
SPHK1 Q9NYA1 7/20 0.45
PARP1 P09874 1/20 0.39
TERT O14746 2/20 0.39
HRH3 Q9Y5N1 4/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37
S1PR4 O95977 1/20 0.37
OPRD1 P41143 1/20 0.35

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
SCHEMBL3428908 1.00 POLB (0.48) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3426906 1.00 POLB (0.48) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3426504 0.94 TERT (0.44) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3429333 0.88 SPHK1 (0.47) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3425935 0.88 SPHK1 (0.47) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3427373 0.88 SPHK1 (0.47) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL4295779 0.86 SPHK1 (0.46) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL4026380 0.86 SPHK1 (0.46) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3431942 0.83 SPHK2 (0.47) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL3427098 0.83 SPHK2 (0.47) POLBL3MBTL1SPHK2SPHK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
CN-1809557-B Compound ASTRAZENECA AB 2012-07-04 CN disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS POLB 1580/4885L3MBTL1 3866/4885SPHK2 2628/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 POLB 890/4885L3MBTL1 1979/4885SPHK2 1528/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI POLB 1077/4885L3MBTL1 1960/4885SPHK2 4081/4885

“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.