SCHEMBL3454166

SCHEMBL3454166

Nc1nc(=O)c2c([nH]1)NCCN2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL2273420 0.76
Hydrochloric Acid SCHEMBL16741182 0.71 KDM4E (0.36) BLMNOS1
SCHEMBL19236409 0.70 NOS1 (0.33) NOS1
SCHEMBL2044798 0.69 NOS1 (0.49) PNPBLMNOS1
SCHEMBL3454198 0.68 CYP3A4 (0.36) PNPCYP3A4BLM
SCHEMBL3454164 0.68 NOS1 (0.53) PNPCYP3A4BLMNOS1
SCHEMBL7359692 0.68 NOS1 (0.31) NOS1
Hydrochloric Acid SCHEMBL28835504 0.67 KDM4E (0.33) BLMNOS1
SCHEMBL1860433 0.66 NOS1 (0.64) PNPNOS1
Hydrochloric Acid SCHEMBL625930 0.64 ALDH1A1 (0.37) BLMNOS1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116721-B1 Process for the reduction of pterines CERBIOS PHARMA SA (CH) 2003-03-12 EP claimed
US-6162914-A Process for the reduction of pterins CERBIOS-PHARMA S.A. (CH) 2000-12-19 US claimed
JP-7188232-A None JP disclosed
US-20230241069-A1 Sapropterin Formulation APR APPLIED PHARMA RESEARCH SA (CH) 2023-08-03 US disclosed
US-7816525-B1 Process for the preparation of optically pure tetrahydropterins and derivatives, and specifically of optically pure tetrahydrofolic acid and derivatives thereof, by stereospecific hydrogenation Merck & Cie (CH) 2010-10-19 US disclosed
US-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation MULLER HANS RUDOLF 2008-12-11 US disclosed
EP-1200437-B1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG (CH) 2004-03-10 EP 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
EP-1116721-A1 Process for the reduction of pterines Cerbios-Pharma S.A. (CH) 2001-07-18 EP 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
US-6162914-A Process for the reduction of pterins CERBIOS-PHARMA S.A. (CH) 2000-12-19 US disclosed
US-6162914-A Process for the reduction of pterins CERBIOS-PHARMA S.A. (CH) 2000-12-19 US disclosed
JP-H07188232-A CELL DAMAGE SUPPRESSING AGENT ASAHI BREWERIES LTD 1995-07-25 JP 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-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation DHFR, MTHFD2, MTHFD1 PNP 1054/4885CYP3A4 193/4885BLM 2462/4885
US-20230241069-A1 Sapropterin Formulation PSAP, CYP46A1, HSD11B2 PNP 2755/4885CYP3A4 579/4885BLM 2286/4885

“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.