SCHEMBL2044797

SCHEMBL2044797

Nc1nc2c(c(=O)[nH]1)NC(CO)CN2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 10/20 0.78
▸ NOS3 P29474 2/20 0.71
▸ NOS2 P35228 2/20 0.71
▸ USP2 O75604 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PAH P00439 1/20 0.48
▸ SOST Q9BQB4 1/20 0.47
▸ FPGS Q05932 2/20 0.46
▸ GART P22102 1/20 0.46

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
SCHEMBL31561469 0.88 NOS1 (0.69) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649233 0.84 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649231 0.84 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL9248337 0.84 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL10615701 0.83 NOS1 (0.71) NOS1NOS3NOS2USP2CASP7
SCHEMBL10852056 0.81 NOS1 (0.75) NOS1NOS3NOS2USP2CASP7
SCHEMBL10849648 0.80 NOS1 (0.66) NOS1NOS3NOS2USP2CASP7
SCHEMBL10854897 0.79 NOS1 (0.83) NOS1NOS3NOS2USP2CASP7
SCHEMBL584982 0.78 NOS1 (0.64) NOS1NOS3NOS2USP2CASP7
SCHEMBL16564267 0.78 NOS1 (0.56) NOS1NOS3NOS2USP2CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119925601-A Application of tetrahydrobiopterin pathway as target in anti-QDPR deletion type tumor 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2025-05-06 — — CN claimed
WO-2024084421-A1 TREATMENT OF VASCULAR DISEASES ASSOCIATED WITH GENETIC VARIATIONS IN ACTA2 QRGENETICS LTD. (IL) 2024-04-25 — — WO claimed
WO-2019175328-A1 BH4PATHWAYACTIVATIONANDUSETHEREOFFORTREATINGCANCER IMBA - INSTITUT FÜR MOLEKULARE BIOTECHNOLOGIE GMBH (AT) 2019-09-19 — — WO claimed
US-20080221111-A1 Roflumilast and sepiapterin; (6R)-L-erythro-5,6,7,8-tetrahydrobiopterin; prevention, treatment of respiratory diseases NYCOMED GMBH (DE) 2008-09-11 — — US claimed
EP-1940392-A2 COMBINATION OF THE PDE4 INHIBITOR AND A TETRAHYDROBIOPTERIN DERIVATIVE Nycomed GmbH (DE) 2008-07-09 — — EP claimed
WO-2006120176-A2 COMBINATION OF THE PDE4 INHIBITOR ROFLUMILAST AND A TETRAHYDROBIOPTERIN DERIVATIVE NYCOMED GMBH (DE) 2006-11-16 — — WO claimed
WO-2005018620-A2 USE OF NITRIC OXIDE SYNTHASE (NOS) COFACTOR FOR THE TREATMENT OF SEXUAL DYSFUNCTION CELL CENTER COLOGNE GMBH (DE) 2005-03-03 — — WO claimed
US-20250255873-A1 RESTORING FUNCTION OF SPECIFIC MUTATIONS AFFECTING THE ACTIN DYNAMIC BY ADMINISTRATION OF SAPROPTERIN QRGENETICS LTD. (IL) 2025-08-14 — — US disclosed
WO-2024084421-A1 TREATMENT OF VASCULAR DISEASES ASSOCIATED WITH GENETIC VARIATIONS IN ACTA2 QRGENETICS LTD. (IL) 2024-04-25 — — WO disclosed
EP-2813509-B1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives ASTRAZENECA AB (SE) 2017-02-01 — — EP disclosed
US-9492451-B2 Stable compositions of tetrahydrobiopterin DIPHARMA S.A. (CH) 2016-11-15 — — US disclosed
US-20160136169-A1 SYSTEMS AND METHODS FOR DELIVERY OF TETRAHYDROBIOPTERIN AND RELATED COMPOUNDS TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2016-05-19 — — US disclosed
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives ASTRAZENECA AB (SE) 2016-04-21 — — US disclosed
US-6410535-B1 SUBSTITUTED TETRAHYDROPTERIN COMPOUNDS INCREASE NITROUS OXIDE PRODUCTION AND SUPPRESS PRODUCTION OF ACTIVE OXYGEN SPECIES TO IMPROVE DISORDERS OF VASCULAR ENDOTHELIAL CELLS SUNTORY LIMITED (JP) 2002-06-25 — — US disclosed
EP-1200437-A1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG Forschungsinstitut (CH) 2002-05-02 — — EP disclosed
US-6288067-B1 ADMINISTERING 5,6,7,8-BIOPTERIN DERIVATIVE; SIDE EFFECT REDUCTION SUNTORY LIMITED (JP) 2001-09-11 — — US disclosed
WO-2001004120-A1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG (CH) 2001-01-18 — — WO disclosed
EP-1004308-A1 PREVENTIVES OR REMEDIES FOR DRUG-INDUCED RENAL DISTURBANCE SUNTORY LIMITED (JP) 2000-05-31 — — EP disclosed
EP-0983765-A1 PREVENTIVES OR REMEDIES FOR DISEASES IN ASSOCIATION WITH VASCULAR FUNCTIONAL ANOMALY RELATING TO INSULIN RESISTANCE SUNTORY LIMITED (JP) 2000-03-08 — — EP disclosed
EP-0908182-A1 PREVENTIVES OR REMEDIES FOR DISEASES INDUCED BY HYPOFUNCTION OF NITRIC OXIDE SYNTHASE (NOS) SUNTORY LIMITED (JP) 1999-04-14 — — 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 (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-20250255873-A1 RESTORING FUNCTION OF SPECIFIC MUTATIONS AFFECTING THE ACTIN DYNAMIC BY ADMINISTRATION OF SAPROPTERIN ACTR2, ACTB, ACTR3 NOS1 2695/4885NOS3 3271/4885NOS2 1672/4885
US-20160136169-A1 SYSTEMS AND METHODS FOR DELIVERY OF TETRAHYDROBIOPTERIN AND RELATED COMPOUNDS LRAT, LTC4S, CETP NOS1 594/4885NOS3 347/4885NOS2 424/4885
US-20080221111-A1 Roflumilast and sepiapterin; (6R)-L-erythro-5,6,7,8-tetrahydrobiopterin; prevention, treatment of respiratory diseases SPR, PAH, QDPR NOS1 264/4885NOS3 173/4885NOS2 293/4885
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A NOS1 1013/4885NOS3 1238/4885NOS2 1355/4885

“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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