SCHEMBL967701

SCHEMBL967701

CSc1ncc(C#N)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
HSP90AB1 P08238 2/20 0.37
HTT P42858 1/20 0.36
HPGDS O60760 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A6 P11509 1/20 0.32
CYP19A1 P11511 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE9A O76083 1/20 0.31

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
SCHEMBL24642673 0.76 KDM4E (0.36) KDM4EKMT2AMEN1
SCHEMBL1421235 0.72
SCHEMBL2284491 0.71 KDM4E (0.33) KDM4EKMT2AMEN1
SCHEMBL1145180 0.71 KDM4E (0.46) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL13037671 0.71 KDM4E (0.56) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL25128594 0.70 EGLN1 (0.35) KDM4E
SCHEMBL3673998 0.69 KDM4E (0.54) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL22055533 0.69 MEN1 (0.36) KDM4EKMT2AMEN1
SCHEMBL2410168 0.69
SCHEMBL3778779 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018112843-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
WO-2023226920-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO.,LTD. (CN) 2023-11-30 WO disclosed
EP-4251613-A1 AMINOHETEROARYL KINASE INHIBITORS Allorion Therapeutics Inc. (US) 2023-10-04 EP disclosed
CN-115768775-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-03-07 CN disclosed
WO-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed
WO-2022111621-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-02 WO disclosed
EP-3986889-A1 FUNGICIDAL OXADIAZOLES Bayer Aktiengesellschaft (DE) 2022-04-27 EP disclosed
US-11266147-B2 Fungicidal oxadiazoles BAYER AKTIENGESELLSCHAFT (DE) 2022-03-08 US disclosed
CN-113845528-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2021-12-28 CN disclosed
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists MERCK SHARP & DOHME CORP. 2004-10-21 US disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
US-5304647-A Addition of an organolithium reagent; dehydrogenation of addition product; two-phase conditions prevents hydrolysis GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1994-04-19 US disclosed
US-4963676-A INTERMEDIATES FOR NOVEL UNFUSED HETEROBICYCLIC COMPOUNDS WITH BIOLOGICAL ACTIVITY; ANTICANCER AGENTS GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1990-10-16 US disclosed
US-4929726-A ANTICARCINOGENIC AGENTS GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1990-05-29 US disclosed
WO-1989007599-A2 NOVEL DIAZINES AND THEIR METHOD OF PREPARATION GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1989-08-24 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-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists GRIN1, GRIN2B, GRIN2A KDM4E 2709/4885ALDH1A1 1273/4885L3MBTL1 3606/4885
US-11266147-B2 Fungicidal oxadiazoles CYP51A1, AADAC, CYP4X1 KDM4E 1329/4885ALDH1A1 234/4885L3MBTL1 1617/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A KDM4E 2372/4885ALDH1A1 1306/4885L3MBTL1 4042/4885

“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.