SCHEMBL719802

SCHEMBL719802

CCOC(=O)c1cnc(Cl)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
P2RY12 Q9H244 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL27416287 0.89 TDP1 (0.48) TDP1P2RY12KDM4EL3MBTL1ALDH1A1
SCHEMBL2225671 0.85 KDM4E (0.51) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL3954184 0.84 P2RY12 (0.49) P2RY12CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL30908249 0.84 TDP1 (0.44) TDP1KDM4EL3MBTL1GAAALDH1A1
SCHEMBL2129547 0.84 TDP1 (0.44) TDP1KDM4EL3MBTL1GAAALDH1A1
SCHEMBL11194084 0.83 P2RY12 (0.48) TDP1P2RY12CYP2C9CYP2C19KDM4E
SCHEMBL14955100 0.83 P2RY12 (0.48) TDP1P2RY12CYP2C9CYP2C19KDM4E
SCHEMBL12467752 0.81 L3MBTL1 (0.61) TDP1P2RY12CYP2C9CYP2C19KDM4E
SCHEMBL31050105 0.80 ALDH1A1 (0.61) TDP1P2RY12CYP2C9CYP2C19L3MBTL1
SCHEMBL990850 0.80 CYP2C9 (0.53) TDP1P2RY12CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731207-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2026-04-29 EP disclosed
WO-2025006293-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-01-02 WO disclosed
US-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2023-10-26 US disclosed
US-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells UNIVERSITE DE MONTREAL (CA) 2023-07-11 US disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
EP-4074711-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2022-10-19 EP disclosed
CN-114901658-A Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof 四川海思科制药有限公司 2022-08-12 CN disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
US-20200323923-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2020-10-15 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
CN-1894225-A (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists MERCK & CO INC (US) 2007-01-10 CN disclosed
EP-1697333-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 WO disclosed
WO-2005058848-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-06-30 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 (5 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-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells MCL1, CD47, BMI1 TDP1 2673/4885P2RY12 2853/4885CYP2C9 4756/4885
US-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS MCL1, CD47, BMI1 TDP1 2673/4885P2RY12 2853/4885CYP2C9 4756/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 TDP1 1348/4885P2RY12 309/4885CYP2C9 2337/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 TDP1 954/4885P2RY12 4352/4885CYP2C9 3968/4885
US-20200323923-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS MCL1, CD47, BMI1 TDP1 2673/4885P2RY12 2853/4885CYP2C9 4756/4885

“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.