SCHEMBL1994575

SCHEMBL1994575

Brc1cnc2ncnn2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
MAP4K4 O95819 1/20 0.35
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9297200 0.74 PDE10A (0.42) PDE10AKDM4EALDH1A1TSHRGAA
SCHEMBL23817294 0.74 PDE10A (0.42) PDE10AGAACYP2C19
SCHEMBL25757834 0.74 PDE10A (0.42) PDE10AGAACYP2C19
SCHEMBL1994499 0.71 PDE10A (0.39) PDE10AKDM4EGAACYP2C19
SCHEMBL13510414 0.69 PDE10A (0.38) PDE10AALDH1A1TSHRGAAMAPT
SCHEMBL13508897 0.69 PDE10A (0.38) PDE10AMAP4K4GAACYP2C19
SCHEMBL17402403 0.68 NAPRT (0.40) PDE10AKDM4EALDH1A1CYP2C19
SCHEMBL27176974 0.67 PDE10A (0.36) PDE10AALDH1A1TSHRCYP2C19TDP1
SCHEMBL27177029 0.67 KDM4E (0.44) PDE10AMAP4K4KDM4EALDH1A1TDP1
SCHEMBL23143459 0.67 KDR (0.54) PDE10AMAP4K4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709481-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS Amgen Inc. (US) 2026-03-18 EP disclosed
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
US-20250368654-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2025-12-04 US disclosed
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-12-12 US disclosed
US-20240376113-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2024-11-14 US disclosed
WO-2024233550-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-11-14 WO disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
WO-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
EP-2513102-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 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 (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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 PDE10A 1480/4885MAP4K4 1932/4885KDM4E 1958/4885
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS HPGD, ADH1A, ADH5 PDE10A 873/4885MAP4K4 2814/4885KDM4E 2813/4885
US-20250368654-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 PDE10A 286/4885MAP4K4 1198/4885KDM4E 3082/4885
US-20240376113-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 PDE10A 286/4885MAP4K4 1198/4885KDM4E 3082/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 PDE10A 772/4885MAP4K4 2154/4885KDM4E 1409/4885

“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.