SCHEMBL843685

SCHEMBL843685

COC(=O)c1cc2ncccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2C Q14957 1/20 0.52
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.49
NAMPT P43490 1/20 0.47
ALOX5 P09917 1/20 0.46
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RPS6KB1 P23443 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
NTRK2 Q16620 1/20 0.41
AURKB Q96GD4 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 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
SCHEMBL29368089 1.00 GRIN3B (0.52) GRIN3BGRIN1GRIN2CALOX15HTT
SCHEMBL29374895 0.84 GRIN3B (0.49) GRIN3BGRIN1GRIN2CALDH1A1NAMPT
SCHEMBL29365840 0.83 GRIN3B (0.57) GRIN3BGRIN1GRIN2CALOX15ALDH1A1
SCHEMBL843784 0.83 GRIN3B (0.57) GRIN3BGRIN1GRIN2CALOX15ALDH1A1
SCHEMBL10650333 0.82 GRIN3B (0.52) GRIN3BGRIN1GRIN2CALOX15HTT
SCHEMBL3308576 0.82 GRIN3B (0.56) GRIN3BGRIN1GRIN2CALOX15ALDH1A1
SCHEMBL30881132 0.81 ALOX15 (0.48) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL5776214 0.81 GRIN3B (0.59) GRIN3BGRIN1GRIN2CHTTALDH1A1
SCHEMBL31108975 0.79 GRIN3B (0.56) GRIN3BGRIN1GRIN2CNAMPTALOX5
SCHEMBL1217553 0.79 GRIN3B (0.56) GRIN3BGRIN1GRIN2CNAMPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2025-03-27 US disclosed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 US disclosed
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2024-02-13 US disclosed
US-11466027-B2 Modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-10-11 US disclosed
US-11466027-B2 Modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-10-11 US disclosed
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3994141-A1 MODULATORS OF THE NMDA RECEPTOR H. Lundbeck A/S (DK) 2022-05-11 EP disclosed
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 US disclosed
EP-3795573-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2021-03-24 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
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP 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
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (7 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-11466027-B2 Modulators of the NMDA receptor GRIN1, GRIN2A, GRIN3A GRIN3B 5/4885GRIN1 1/4885GRIN2C 8/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 GRIN3B 774/4885GRIN1 884/4885GRIN2C 350/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 GRIN3B 2209/4885GRIN1 2687/4885GRIN2C 1563/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 GRIN3B 1243/4885GRIN1 810/4885GRIN2C 271/4885
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor TK2, TYMP, DPYD GRIN3B 3719/4885GRIN1 2554/4885GRIN2C 2939/4885
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 GRIN3B 2209/4885GRIN1 2687/4885GRIN2C 1563/4885
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 GRIN3B 2209/4885GRIN1 2687/4885GRIN2C 1563/4885

“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.