SCHEMBL1860432

SCHEMBL1860432

Nc1nc2c(c(=O)[nH]1)NC(c1ccccc1)CN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 13/20 1.00
NOS3 P29474 2/20 0.51
NOS2 P35228 1/20 0.51
USP2 O75604 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NEK6 Q9HC98 1/20 0.44
PAH P00439 1/20 0.41
QTRT1 Q9BXR0 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
SCHEMBL1860433 0.78 NOS1 (0.64) NOS1NOS3QTRT1
SCHEMBL4323780 0.76 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL584982 0.74 NOS1 (0.64) NOS1NOS3NOS2USP2CASP7
SCHEMBL19410958 0.73 NOS1 (0.59) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL16741181 0.73 NOS1 (0.62) NOS1NOS3NOS2USP2CASP7
SCHEMBL2044797 0.71 NOS1 (0.78) NOS1NOS3NOS2USP2CASP7
SCHEMBL3799967 0.70 NOS1 (0.66) NOS1NOS3NPSR1
SCHEMBL9248337 0.69 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649233 0.69 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649231 0.69 NOS1 (0.72) 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 72 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-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
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 597/4885NOS2 839/4885
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
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 597/4885NOS2 756/4885

“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.