SCHEMBL4450004

SCHEMBL4450004

COC(=O)c1ccnc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.53
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
JMJD6 Q6NYC1 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM5B Q9UGL1 3/20 0.46
KDM5A P29375 2/20 0.46
HTT P42858 1/20 0.45
ROCK1 Q13464 2/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Hydrochloric Acid SCHEMBL16929773 0.98 KDM4E (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL28377156 0.98 KDM4E (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL10263738 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL348975 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31320065 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30740808 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3872835 0.84 JMJD6 (0.53) KDM4CKDM5CJMJD6KDM5BKDM5A
SCHEMBL1007105 0.83 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL22005801 0.83 KDM5C (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL29700409 0.83 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
US-20250161468-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2025-05-22 US disclosed
US-20240390507-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2024-11-28 US disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-12-08 US disclosed
EP-4031247-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-07-27 EP disclosed
CN-114521196-A Bifunctional group degradation agent and use method thereof 诺华股份有限公司 2022-05-20 CN disclosed
US-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
EP-0161737-B1 ELECTROCHEMICAL REDUCTIONS OF CYANOPYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1991-06-05 EP disclosed
EP-0161737-A1 Electrochemical reductions of cyanopyridine bases REILLY INDUSTRIES, INC. (US) 1985-11-21 EP disclosed
US-4482437-A Electrochemical reductions of cyanopyridine bases REILLY TAR & CHEMICAL CORP. (US) 1984-11-13 US 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 (6 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-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRM1, OPRK1, OPRL1 KDM4E 1929/4885KDM4C 2145/4885KDM6B 872/4885
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE JMJD7, MDM2, IDE KDM4E 2112/4885KDM4C 2874/4885KDM6B 1699/4885
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY KDM4E 3522/4885KDM4C 3141/4885KDM6B 3843/4885
US-20250161468-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 KDM4E 1929/4885KDM4C 2145/4885KDM6B 872/4885
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 KDM4E 1649/4885KDM4C 1409/4885KDM6B 477/4885
US-20240390507-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 KDM4E 1929/4885KDM4C 2145/4885KDM6B 872/4885

“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.