SCHEMBL3454196

SCHEMBL3454196

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.41
MAPT P10636 2/20 0.41
PNP P00491 2/20 0.41
QTRT1 Q9BXR0 1/20 0.39
DYRK1A Q13627 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 1/20 0.37
CASP7 P55210 1/20 0.37
PAH P00439 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL18519933 0.69 NOS1 (0.42) NOS1MAPTPNPQTRT1NOS3
SCHEMBL8231706 0.68 NOS1 (0.41) NOS1MAPTPNPQTRT1NOS3
SCHEMBL3454198 0.68 CYP3A4 (0.36) MAPTPNPQTRT1DYRK1AHSD17B10
SCHEMBL3454164 0.68 NOS1 (0.53) NOS1MAPTPNPNOS3NOS2
SCHEMBL5342218 0.68 NOS1 (0.41) NOS1MAPTPNPQTRT1NOS3
SCHEMBL2523525 0.68 NOS1 (0.53) NOS1MAPTPNPDYRK1ANOS3
SCHEMBL142923 0.67 CDK1 (0.40) MAPTPNPQTRT1DYRK1ACDK1
SCHEMBL156195 0.65 KDM4E (0.57) NOS1MAPTPNPNOS3NOS2
SCHEMBL25592958 0.65 NOS1 (0.50) NOS1MAPTPNPNOS3NOS2
Hydrochloric Acid SCHEMBL625929 0.64 KDM4E (0.59) NOS1MAPTPNPNOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7504095-B2 2,10-dioxo,2,12,12-trihydroxy,8-amino-4,4a,5a,6,9,10,11,11a,12,12a-decahydropterino(6',7':5,6)pyrano(2,3-d)-1,3,2-dioxaphosphorin TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2009-03-17 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
CN-100381442-C Method for producing by stereospecific hydration tetrahydropterins and optically pure derivatives, in particular tetrahydrofolic acid and its optically pure derivatives EPROVA AG (CH) 2008-04-16 CN disclosed
US-20070037250-A1 2,10-dioxo,2,12,12-trihydroxy,8-amino-4,4a,5a,6,9,10,11,11a,12,12a-decahydropterino(6',7':5,6)pyrano(2,3-d)-1,3,2-dioxaphosphorin PHOENIX TISSUE REPAIR, INC. 2007-02-15 US disclosed
CN-1264842-C Process for the preparation of optically pure tetrahydropterin and derivatives thereof, in particular optically pure tetrahydrofolic acid and derivatives thereof, by stereoselective hydrogenation EPROVA AG (CH) 2006-07-19 CN disclosed
CN-1781919-A Method for producing by stereospecific hydration tetrahydropterins and optically pure derivatives, in particular tetrahydrofolic acid and its optically pure derivatives EPROVA AG (CH) 2006-06-07 CN disclosed
CN-1360587-A Process for the preparation of optically pure tetrahydropterin and derivatives thereof, in particular optically pure tetrahydrofolic acid and derivatives thereof, by stereoselective hydrogenation EPROVA AG (CH) 2002-07-24 CN 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 (1 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 NOS1 1234/4885MAPT 1279/4885PNP 1054/4885

“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.