SCHEMBL1605148

SCHEMBL1605148

CC(C)(C)c1cnnc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HRH4 Q9H3N8 2/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL30775679 1.00 HSD17B10 (0.42) HSD17B10ADORA2AADORA1HRH4HSP90AA1
SCHEMBL12707369 0.88 HSD17B10 (0.34) HSD17B10ADORA2AADORA1
SCHEMBL2652226 0.83 HSP90AA1 (0.38) HSD17B10ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL2657204 0.83 HSP90AA1 (0.38) HSD17B10ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL2651105 0.83 ADORA2A (0.35) HSD17B10ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL30754263 0.77 HSP90AA1 (0.45) HSD17B10ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL2651405 0.77 HSP90AA1 (0.45) HSD17B10ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL12707361 0.77 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL13172396 0.74 KDM4E (0.31) KDM4E
SCHEMBL278834 0.74 KDM4E (0.31) KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568746-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 US disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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 (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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA HSD17B10 129/4885ADORA2A 1620/4885ADORA1 2603/4885
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES GABRA5, GABRA3, GABRA2 HSD17B10 2144/4885ADORA2A 154/4885ADORA1 206/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA HSD17B10 129/4885ADORA2A 1620/4885ADORA1 2603/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 HSD17B10 1403/4885ADORA2A 204/4885ADORA1 419/4885
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES GRIN2C, CYP3A4, BICRA HSD17B10 400/4885ADORA2A 584/4885ADORA1 576/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS HSD17B10 3628/4885ADORA2A 4478/4885ADORA1 4245/4885

“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.