SCHEMBL1860433

SCHEMBL1860433

Nc1nc(=O)c2c([nH]1)NCC(c1ccccc1)N2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.64
NOS3 P29474 3/20 0.42
QTRT1 Q9BXR0 1/20 0.35
XDH P47989 3/20 0.35
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
PNP P00491 1/20 0.33

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
SCHEMBL1860432 0.78 NOS1 (1.00) NOS1NOS3QTRT1
SCHEMBL584983 0.74 NOS1 (0.36) NOS1NOS3
Hydrochloric Acid SCHEMBL16741182 0.73 KDM4E (0.36) NOS1NOS3
SCHEMBL14685027 0.71 NOS1 (0.36) NOS1NOS3
SCHEMBL4323780 0.68 NOS1 (1.00) NOS1NOS3
SCHEMBL14251056 0.67 NOS1 (0.49) NOS1PARP1PARP2PKN1PKN2
SCHEMBL2199447 0.67 NOS1 (0.49) NOS1PARP1PARP2
SCHEMBL10041515 0.67 NOS1 (0.49) NOS1PARP1PARP2
SCHEMBL18520768 0.67 NOS1 (0.46) NOS1NOS3
Sapropterin SCHEMBL258544 0.67 NOS1 (0.65) NOS1NOS3

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 63 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-20110104137-A1 ADJUNCTS AND COMPLEXES FOR IMPROVING HMG-CoA REDUCTASE INHIBITOR (STATIN) AND SELECTIVE PHOSPHODIESTERASE 5 INHIBITOR THERAPY CHRONORX LLC, AN ALASKA LIMITED LIABILITY COMPANY (US) 2011-05-05 US claimed
US-20090068264-A1 Clinical Applications of Tetrahydrobiopterin, Lipoic Acid and Their Salts and Methods of Preparing Tetrahydrobiopterin Bis-Lipoate CHRONORX LLC (US) 2009-03-12 US 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
US-20060194808-A1 Clinical applications of tetrahydrobiopterin, lipoic acid and their salts and methods of preparing tetrahydrobiopterin bis-lipoate CHRONORX LLC, AN ALASKA LIMITED LIABILITY COMPANY (US) 2006-08-31 US 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
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-5753656-A ADMINISTERING PTERIN DERIVATIVE HAVING REDUCED SIDE EFFECTS SUNTORY LIMITED (JP) 1998-05-19 US disclosed
EP-0722731-A1 REMEDY FOR SPINOCEREBELLAR DEGENERATION SUNTORY LIMITED (JP) 1996-07-24 EP disclosed
EP-0209689-B1 USE OF TETRAHYDROBIOPTERINS IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF INFANTILE AUTISM SUNTORY LIMITED (JP) 1992-03-11 EP disclosed
US-4920122-A TETRAHYDROBIOPTERIN, 5-HYDROXYTRYPTOPHAN AND L-DOPA MIXTURE SUNTORY LIMITED (JP) 1990-04-24 US disclosed
US-4778794-A TETRAHYDROBIOPTERIN OR DERIVATIVE SUNTORY LIMITED (JP) 1988-10-18 US 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

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-20110104137-A1 ADJUNCTS AND COMPLEXES FOR IMPROVING HMG-CoA REDUCTASE INHIBITOR (STATIN) AND SELECTIVE PHOSPHODIESTERASE 5 INHIBITOR THERAPY HMGCR, CYP11A1, PDE5A NOS1 754/4885NOS3 597/4885QTRT1 1340/4885
US-20250255873-A1 RESTORING FUNCTION OF SPECIFIC MUTATIONS AFFECTING THE ACTIN DYNAMIC BY ADMINISTRATION OF SAPROPTERIN ACTR2, ACTB, ACTR3 NOS1 2695/4885NOS3 3271/4885QTRT1 1479/4885
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 173/4885QTRT1 288/4885
US-20090068264-A1 Clinical Applications of Tetrahydrobiopterin, Lipoic Acid and Their Salts and Methods of Preparing Tetrahydrobiopterin Bis-Lipoate BPHL, RBP4, GLS NOS1 445/4885NOS3 597/4885QTRT1 1137/4885

“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.