SCHEMBL584983

SCHEMBL584983

CC1CNc2[nH]c(N)nc(=O)c2N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
USP2 O75604 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PAH P00439 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL16741182 0.98 KDM4E (0.36) NOS1NOS3NOS2USP2CASP7
SCHEMBL14685027 0.78 NOS1 (0.36) NOS1NOS3NOS2USP2CASP7
SCHEMBL2044798 0.77 NOS1 (0.49) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL28835504 0.77 KDM4E (0.33) NOS1NOS3NOS2USP2CASP7
SCHEMBL156196 0.76 KDM4E (0.35) NOS1NOS3NOS2USP2CASP7
Sapropterin SCHEMBL37480 0.76 NOS1 (0.65) NOS1NOS3NOS2USP2CASP7
Sapropterin SCHEMBL31673726 0.76 NOS1 (0.65) NOS1NOS3NOS2USP2CASP7
Sapropterin SCHEMBL258544 0.76 NOS1 (0.65) NOS1NOS3NOS2USP2CASP7
SCHEMBL18520768 0.76 NOS1 (0.46) NOS1NOS3NOS2USP2CASP7
Sapropterin SCHEMBL1534380 0.76 NOS1 (0.65) 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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-5194229-A None JP disclosed
JP-63267781-A None JP disclosed
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
WO-2019175328-A1 BH4PATHWAYACTIVATIONANDUSETHEREOFFORTREATINGCANCER IMBA - INSTITUT FÜR MOLEKULARE BIOTECHNOLOGIE GMBH (AT) 2019-09-19 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-4778794-A TETRAHYDROBIOPTERIN OR DERIVATIVE SUNTORY LIMITED (JP) 1988-10-18 US disclosed
US-4774244-A ANTIDEPRESSANTS KANAGAFUCHI CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 1988-09-27 US disclosed
US-4758571-A Pterin derivatives to treat Parkinson's disease KANEGAFUCHI CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 1988-07-19 US disclosed
EP-0138995-A4 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1988-05-10 EP disclosed
EP-0209689-A2 Use of tetrahydrobiopterins in the preparation of a medicament for the treatment of infantile autism SUNTORY LIMITED (JP) 1987-01-28 EP disclosed
EP-0138995-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES. UNIV SOUTH ALABAMA (US) 1985-05-02 EP disclosed
WO-1984004040-A1 REGULATION OF ENZYMES WHICH UTILIZE TETRAHYDROBIOPTERIN OR TETRAHYDROFOLATE COFACTORS WITH 6, 6-DISUBSTITUTED-TETRAHYDROPTERIDINES UNIV SOUTH ALABAMA (US) 1984-10-25 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 (2 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-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

“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.