SCHEMBL4423855

SCHEMBL4423855

CC(C)c1cc(N)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HRH3 Q9Y5N1 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA2A P29274 1/20 0.32
PTGS1 P23219 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
HRH4 Q9H3N8 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL26860530 0.85 ADORA2B (0.30) ADORA2B
SCHEMBL16339754 0.82 ADORA2B (0.31) ADORA2BADORA2APTGS1L3MBTL1
SCHEMBL2678381 0.81 USP2 (0.33) ALDH1A1ADORA2BGAAHRH4
SCHEMBL11469821 0.74 NOS3 (0.38) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL4279839 0.74 IRAK4 (0.30)
SCHEMBL2737328 0.73 ALDH1A1 (0.35) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL2610824 0.73 BAZ2B (0.39) NOS3NOS1NOS2ALDH1A1ADORA2B
SCHEMBL6229727 0.73 ADORA2B (0.33) ADORA2BGAA
SCHEMBL17045358 0.73 ADORA2A (0.39) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL19992372 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 EP disclosed
WO-2023216237-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-11-16 WO disclosed
US-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 US disclosed
US-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 US disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-24 US disclosed
CN-110049977-B Lactam, cyclic urea and carbamate and triazolone derivatives as potent and selective ROCK inhibitors 百时美施贵宝公司 2022-01-18 CN disclosed
EP-3908579-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2021-11-17 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US disclosed
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 EP disclosed
US-4234594-A Pyrazolyl amino imidazolines as antihypertensive agents ABBOTT LABORATORIES (US) 1980-11-18 US disclosed
US-4226773-A Pyrazolyl amino imidazolines as diuretic agents ABBOTT LABORATORIES (US) 1980-10-07 US disclosed
US-4171367-A ANTIINFLAMMATORY ABBOTT LABORATORIES (US) 1979-10-16 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-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NOS3 1205/4885NOS1 1007/4885NOS2 1336/4885
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 NOS3 1677/4885NOS1 651/4885NOS2 1492/4885
US-20230286973-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G NOS3 4218/4885NOS1 3305/4885NOS2 4142/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 NOS3 1677/4885NOS1 651/4885NOS2 1492/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 NOS3 894/4885NOS1 901/4885NOS2 918/4885

“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.