SCHEMBL56189

SCHEMBL56189

COc1nccc(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.56
NOS3 P29474 6/20 0.56
NOS1 P29475 3/20 0.41
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
LMNA P02545 1/20 0.38
LIMK1 P53667 1/20 0.38
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
DYRK1A Q13627 1/20 0.35
IKBKB O14920 1/20 0.35
RPS6KA5 O75582 1/20 0.35
APLNR P35414 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL29404332 1.00 NOS2 (0.56) NOS2NOS3NOS1AURKATTK
SCHEMBL29502046 0.86 NOS2 (0.50) NOS2NOS3NOS1AURKATTK
SCHEMBL29424822 0.80 AURKA (0.46) NOS2NOS3NOS1AURKATTK
SCHEMBL2946870 0.80 AURKA (0.46) NOS2NOS3NOS1AURKATTK
SCHEMBL29513590 0.78 IKBKB (0.45) NOS2NOS3NOS1AURKATTK
SCHEMBL3202404 0.78 IKBKB (0.45) NOS2NOS3NOS1AURKATTK
Hydrochloric Acid SCHEMBL10850408 0.78 AURKA (0.44) NOS2NOS3NOS1AURKATTK
SCHEMBL27727585 0.78 NOS2 (0.50) NOS2NOS3NOS1LMNALIMK1
SCHEMBL6792963 0.77 NOS3 (0.48) NOS2NOS3NOS1AURKATTK
SCHEMBL7851308 0.77 AURKA (0.40) NOS2NOS3NOS1AURKATTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 WO claimed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 US claimed
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2025-12-02 US disclosed
CN-115557907-B 2,4, 5-Trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2024-12-06 CN disclosed
CN-114174278-B Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2024-08-23 CN disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
CN-114921391-B 4, 5-cyclic 1,2, 4-triazolones 拜耳股份有限公司 2024-01-02 CN disclosed
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 EP disclosed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-11-16 US disclosed
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 WO disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5532358-A Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4] diazepin-6-ones BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-07-02 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 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 (3 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-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 NOS2 3652/4885NOS3 3387/4885NOS1 3283/4885
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD NOS2 695/4885NOS3 1028/4885NOS1 842/4885
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD NOS2 695/4885NOS3 1028/4885NOS1 842/4885

“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.