SCHEMBL645045

SCHEMBL645045

CCOC(=O)c1cn(C)nc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.47
CSNK1D P48730 1/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
MAPK1 P28482 1/20 0.44
JMJD6 Q6NYC1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL175330 0.83 ALDH1A1 (0.46) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL9543825 0.83 ALDH1A1 (0.42) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL12429197 0.83 TEAD2 (0.45) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL4698208 0.82 TSHR (0.50) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL11564068 0.82 F2 (0.52) ADORA3ADORA2AADORA1ALDH1A1KMT2A
SCHEMBL3267578 0.82 TSHR (0.50) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL17785298 0.82 ALDH1A1 (0.45) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL20098494 0.81 ADORA3 (0.55) ADORA3ADORA2AADORA1ALDH1A1MEN1
SCHEMBL1459312 0.81 ADORA2A (0.55) ADORA3ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL31714887 0.81 TEAD2 (0.43) ADORA3ADORA2AADORA1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178265-A Synthesis method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid 常州工程职业技术学院 2023-05-30 CN claimed
JP-6056793-A None JP disclosed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
EP-4735114-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES Masarykova Univerzita (CZ) 2026-05-06 EP disclosed
EP-4676923-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS Cancer Research Technology Limited (GB) 2026-01-14 EP disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
WO-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 WO disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
WO-2025054132-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-03-13 WO disclosed
WO-2025002491-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES MASARYKOVA UNIVERZITA (CZ) 2025-01-02 WO disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed
JP-H0656793-A A PYRAZOLE SULFONYLUREA DERIVATIVE, ITS PRODUCTION AND SELECTIVE HERBICIDE CONTAINING THE SAME NISSAN CHEM IND LTD 1994-03-01 JP disclosed
EP-0537423-A1 N-pyrazolyl-1,2,4-triazolo(1,5-c)pyrimidine-2-sulfonamide herbicides DowElanco (US) 1993-04-21 EP disclosed
US-5201938-A N-pyrazolyl-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1993-04-13 US disclosed
US-4689417-A HERBICIDE INTERMEDIATES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1987-08-25 US disclosed
US-4668277-A HERBICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-26 US disclosed
US-4542131-A NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1985-09-17 US disclosed
US-4486591-A CNS DISORDERS LILLY INDUSTRIES LIMITED (GB) 1984-12-04 US disclosed
US-4404137-A NEUROLEPTIC AGENTS; SEDATIVES; TRANQUILIZERS; ANTIEMETICS LILLY INDUSTRIES LIMITED (GB) 1983-09-13 US disclosed
EP-0027390-A1 Novel benzodiazepine compounds, their preparation, intermediates employed in their preparation, and pharmaceutical compositions containing them Lilly Industries Limited (GB) 1981-04-22 EP 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 (2 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-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 ADORA3 205/4885ADORA2A 249/4885ADORA1 162/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 ADORA3 2185/4885ADORA2A 3226/4885ADORA1 2116/4885

“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.