SCHEMBL7960738

SCHEMBL7960738

CC1(C)OB(c2cc(C#N)cc(C#N)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
F11 P03951 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
P2RX7 Q99572 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL12327387 0.89 ESR2 (0.37) ESR2LPLLIPGCA1CA2
SCHEMBL12299741 0.88 ESR2 (0.36) ESR2LPLLIPGCA1CA2
SCHEMBL4784162 0.88 ESR2 (0.36) ESR2LPLLIPGCA2CA9
SCHEMBL30345343 0.88 ESR2 (0.36) ESR2LPLLIPGCA1CA2
SCHEMBL29975527 0.88 ESR2 (0.36) ESR2LPLLIPGCA2CA9
SCHEMBL3323420 0.88 ESR2 (0.36) ESR2LPLLIPGCA1CA2
SCHEMBL12522631 0.88 ESR2 (0.36) ESR2LPLLIPGCA1CA2
SCHEMBL419330 0.88 LPL (0.45) ESR2LPLLIPGPGR
SCHEMBL30169943 0.88 ESR2 (0.36) ESR2LPLLIPGCA1CA2
SCHEMBL28779 0.88 ESR2 (0.36) ESR2LPLLIPGPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators NXERA PHARMA UK LIMITED (GB) 2025-09-16 US disclosed
WO-2025057775-A1 MATERIAL FOR PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT, AND IMAGING ELEMENT 東ソー株式会社 2025-03-20 WO disclosed
US-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-10-22 US disclosed
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS NXERA PHARMA UK LIMITED (GB) 2024-03-21 US disclosed
CN-116554057-B Compounds for reducing Erythropoietin (EPO) production and uses thereof 杭州安道药业有限公司 2023-12-15 CN disclosed
US-20230301181-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME LAPTO CO., LTD. (KR) 2023-09-21 US disclosed
CN-116554057-A Compounds for reducing Erythropoietin (EPO) production and uses thereof 杭州安道药业有限公司 2023-08-08 CN disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
EP-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 EP disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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 (10 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-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same INTS9, GTF2I, BRI3BP ESR2 955/4885LPL 2153/4885LIPG 2363/4885
US-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP ESR2 2144/4885LPL 1639/4885LIPG 1531/4885
US-20230301181-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SAT1, FTO, SETDB1 ESR2 1202/4885LPL 3097/4885LIPG 2289/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP ESR2 2312/4885LPL 1307/4885LIPG 578/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP ESR2 2312/4885LPL 1307/4885LIPG 578/4885
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 ESR2 608/4885LPL 1075/4885LIPG 2341/4885
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 ESR2 608/4885LPL 1075/4885LIPG 2341/4885
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM6, GRM2 ESR2 620/4885LPL 1073/4885LIPG 2273/4885
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS GRM5, GRM6, GRM2 ESR2 620/4885LPL 1073/4885LIPG 2273/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 ESR2 1890/4885LPL 869/4885LIPG 1059/4885

“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.