SCHEMBL832732

SCHEMBL832732

Cc1cncc(C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.67
ATM Q13315 1/20 0.60
PARP1 P09874 1/20 0.50
SMYD3 Q9H7B4 2/20 0.49
RAF1 P04049 1/20 0.49
PKMYT1 Q99640 1/20 0.49
MKNK1 Q9BUB5 5/20 0.47
MKNK2 Q9HBH9 5/20 0.47
SIRT2 Q8IXJ6 4/20 0.45
SIRT1 Q96EB6 4/20 0.45
SIRT3 Q9NTG7 4/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAP4K4 O95819 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
SCHEMBL29503159 1.00 HCAR2 (0.67) HCAR2ATMPARP1SMYD3RAF1
Hydrochloric Acid SCHEMBL27809845 0.98 HCAR2 (0.64) HCAR2ATMPARP1SMYD3RAF1
SCHEMBL2841794 0.84 SIRT2 (0.54) HCAR2RAF1PKMYT1MKNK1MKNK2
SCHEMBL29477599 0.83 HCAR2 (0.62) HCAR2ATMPARP1SMYD3RAF1
SCHEMBL30892620 0.82 HCAR2 (0.50) HCAR2ATMPARP1SMYD3RAF1
Hydrazine SCHEMBL28220034 0.81 HCAR2 (0.92) HCAR2ATMSMYD3RAF1MKNK1
SCHEMBL10274533 0.80 HCAR2 (0.58) HCAR2ATMSMYD3RAF1PKMYT1
SCHEMBL12164220 0.80 HCAR2 (0.58) HCAR2ATMPARP1SMYD3RAF1
SCHEMBL3102318 0.80 HCAR2 (0.69) HCAR2ATMSMYD3MKNK1MKNK2
SCHEMBL29586507 0.80 HCAR2 (1.00) HCAR2ATMSMYD3RAF1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
CN-117157282-A Crystalline forms of N- {3- [ (1S) -1- { [6- (3, 4-dimethoxyphenyl) pyrazin-2-yl ] amino } ethyl ] phenyl } -5-methylpyridine-3-carboxamide and related products and methods GB002股份有限公司 2023-12-01 CN claimed
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 US claimed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
EP-4081299-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2022-11-02 EP claimed
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 CN claimed
WO-2021130255-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
CN-105348185-B Bicyclic [3.2.1] octyl group amide derivatives and application thereof H.隆德贝克有限公司 2018-02-16 CN claimed
CN-206198963-U A kind of waste gas centralized processor in β nicotinamide mononucleotides production technology 浙江邦成化工有限公司 2017-05-31 CN claimed
CN-105348185-A Bicyclo[3.2.1]octyl amide derivatives and uses of same LUNDBECK & CO AS H 2016-02-24 CN claimed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20050014268-A1 Genetic transformation using a PARP inhibitor BAYER BIOSCIENCE NV 2005-01-20 US claimed
EP-1496125-A2 Genetic transformation using a PARP inhibitor Bayer BioScience N.V. (BE) 2005-01-12 EP claimed
US-20030175925-A1 Nucleic acids; genetic engineering; insertion into cells; modulate antibodies DEUTSCHE EFFECTEN- UND WECHSEL-BETEILIGUNGSGESELLSCHAFT AG (DE) 2003-09-18 US claimed
US-6074876-A PREPARING TRANSGENIC PLANT CELLS USING POLY ADENINE DIPHOSPHATE POLYMERASE; CONTACTING PLANT CELLS WITH ENZYME INHIBITOR, CONTACTING PLANT CELLS WITH A EXOGENOUS NUCLEOTIDE SEQUENCES, RECOVERING TRANSGENIC PLANT CELLS PLANT GENETIC SYSTEMS, N.V. (BE) 2000-06-13 US claimed
EP-0641193-A4 CHEMOTHERAPEUTIC DRUG COMBINATIONS. MARTIN DANIEL S (US) 1995-09-06 EP claimed
EP-0641193-A1 CHEMOTHERAPEUTIC DRUG COMBINATIONS PRO-NEURON, INC. (US) 1995-03-08 EP claimed
WO-1993023014-A1 CHEMOTHERAPEUTIC DRUG COMBINATIONS MARTIN DANIEL S (US) 1993-11-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL HCAR2 4212/4885ATM 3839/4885PARP1 1780/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR HCAR2 2549/4885ATM 4121/4885PARP1 4079/4885
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES FCER2, FCGR2A, FCGR1A HCAR2 50/4885ATM 4459/4885PARP1 2286/4885
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 HCAR2 975/4885ATM 3233/4885PARP1 992/4885

“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.