SCHEMBL2056360

SCHEMBL2056360

CCc1ccc2nccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.52
▸ NOS1 P29475 1/20 0.52
▸ NOS2 P35228 1/20 0.52
▸ ECE2 P0DPD6 1/20 0.45
▸ TGFBR1 P36897 1/20 0.44
▸ SHMT2 P34897 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ OGA O60502 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ TUBB4A P04350 1/20 0.38

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
SCHEMBL9971308 0.83 CNR1 (0.44) NOS3NOS1NOS2ECE2SHMT2
SCHEMBL7029899 0.79 ECE2 (0.46) ECE2SHMT2RAB9ANPC1MEN1
SCHEMBL25584926 0.78 SHMT2 (0.49) NOS1ECE2SHMT2RAB9ASMN1; SMN2
SCHEMBL31367022 0.77 LOXL2 (0.47) NOS1NOS2ECE2SHMT2
SCHEMBL3820906 0.77 ECE2 (0.45) ECE2SHMT2RAB9ASMN1; SMN2NPC1
SCHEMBL6763074 0.77 ECE2 (0.49) ECE2TGFBR1SHMT2RAB9ANPC1
SCHEMBL2860410 0.77 LOXL2 (0.47) NOS1NOS2ECE2SHMT2
SCHEMBL9611255 0.77 ECE2 (0.45) ECE2SHMT2RAB9ASMN1; SMN2NPC1
SCHEMBL843959 0.77 ECE2 (0.45) ECE2SHMT2RAB9ANPC1OGA
SCHEMBL13573864 0.77 ECE2 (0.45) ECE2TGFBR1SHMT2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709714-A1 SUBSTITUTED QUINOXALINES Mirati Therapeutics, Inc. (US) 2026-03-18 — — EP disclosed
US-20240391882-A1 Substituted Quinoxalines Mirati Therapeutics, Inc. 2024-11-28 — — US disclosed
WO-2024238221-A1 SUBSTITUTED QUINOXALINES Mirati Therapeutics, Inc. (US) 2024-11-21 — — WO disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 — — US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-07-18 — — US disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 — — WO disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 — — US disclosed
WO-2023072969-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 — — WO disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 — — US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 — — WO disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 — — US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 — — US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 — — WO disclosed
EP-1756093-A1 PROCESSES FOR PREPARING GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth (US) 2007-02-28 — — EP disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 — — WO disclosed
WO-2006009736-A1 PROCESSES FOR PREPARING GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 — — 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 (10 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 NOS3 4232/4885NOS1 3695/4885NOS2 4195/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 NOS3 4362/4885NOS1 4426/4885NOS2 4298/4885
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 NOS3 1618/4885NOS1 3459/4885NOS2 3685/4885
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 NOS3 2667/4885NOS1 1325/4885NOS2 3410/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 NOS3 3235/4885NOS1 3387/4885NOS2 3659/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 NOS3 2129/4885NOS1 2288/4885NOS2 2275/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NOS3 4663/4885NOS1 4735/4885NOS2 4755/4885
US-20240391882-A1 Substituted Quinoxalines NQO2, NQO1, NDUFV3 NOS3 1919/4885NOS1 3113/4885NOS2 2096/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 NOS3 4362/4885NOS1 4426/4885NOS2 4298/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 NOS3 1075/4885NOS1 1398/4885NOS2 1443/4885

“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.

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