SCHEMBL146752

SCHEMBL146752

Nc1nc(N)c(O)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.35
DCPS Q96C86 1/20 0.35
ADORA2A P29274 1/20 0.35
PIK3CG P48736 4/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GDA Q9Y2T3 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL169708 0.84 POLB (0.34) PDPK1DCPSADORA2APIK3CGPOLB
SCHEMBL8902753 0.80 ALDH1A1 (0.40) LMNACYP1A2HPGDHSD17B10
SCHEMBL8382084 0.79
Hydrochloric Acid SCHEMBL11480380 0.78 ALDH1A1 (0.39) LMNACYP1A2HPGDHSD17B10
SCHEMBL29400765 0.71 CYP1A2 (0.32) PDPK1DCPSADORA2APIK3CGPOLB
SCHEMBL6944829 0.71 PIK3CG (0.31) PDPK1DCPSADORA2APIK3CG
SCHEMBL33841 0.69 DCPS (0.38) PDPK1DCPSADORA2AGDA
SCHEMBL8081435 0.69 LMNA (0.33) PDPK1DCPSADORA2APIK3CGLMNA
SCHEMBL6943391 0.69 CYP1A2 (0.31) PDPK1DCPSADORA2APIK3CGCYP1A2
Hydrochloric Acid SCHEMBL3763676 0.69 CYP1A2 (0.31) PDPK1DCPSADORA2APIK3CGCYP1A2

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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443890-B1 OXIDATION COLOURING AGENT BASED ON BICYCLIC DEVELOPER COMPONENTS HENKEL AG & CO KGAA (DE) 2010-01-13 EP claimed
EP-1598048-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-13 EP claimed
US-20050257333-A1 Composition for coloring of keratin fibers KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US claimed
EP-1598048-A1 Composition for coloring of keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP claimed
WO-1995007068-A1 OXIDATION DYES CONTAINING 2-HYDROXY-4-AMINOBENZENE DERIVATIVES AS COUPLERS AND HYDROXYTRIAMINOPYRIMIDINES OR DIHYDROXYDIAMINOPYRIMIDINES AS DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-03-16 WO claimed
EP-0467026-B1 HAIR DYEING COMPOSITION AND ITS USE GOLDWELL AKTIENGESELLSCHAFT (DE) 1993-03-03 EP claimed
US-5176716-A Hydroxytriaminopyrimidine developer GOLDWELL AG (DE) 1993-01-05 US claimed
EP-3113754-B1 OXIDATIVE HAIR DYEING COMPOSITION KAO GERMANY GMBH (DE) 2022-07-27 EP disclosed
EP-2456412-B1 COMPOSITION AND METHOD FOR COLOURING HAIR KAO GERMANY GMBH (DE) 2021-09-08 EP disclosed
EP-3240525-B1 AQUEOUS OXIDIZING COMPOSITION KAO GERMANY GMBH (DE) 2021-04-21 EP disclosed
EP-2797574-B1 OXIDATIVE DYEING COMPOSITION KAO GERMANY GMBH (DE) 2021-03-03 EP disclosed
US-10813869-B2 Aqueous oxidizing composition KAO GERMANY GMBH (DE) 2020-10-27 US disclosed
EP-2939656-B1 AQUEOUS OXIDATIVE DYEING COMPOSITION KAO GERMANY GMBH (DE) 2020-09-23 EP disclosed
EP-0542129-B1 Hair dye composition GOLDWELL GMBH (DE) 1995-06-14 EP disclosed
EP-0657159-A1 Hair dye composition GOLDWELL GmbH (DE) 1995-06-14 EP disclosed
WO-1995007068-A1 OXIDATION DYES CONTAINING 2-HYDROXY-4-AMINOBENZENE DERIVATIVES AS COUPLERS AND HYDROXYTRIAMINOPYRIMIDINES OR DIHYDROXYDIAMINOPYRIMIDINES AS DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-03-16 WO disclosed
WO-1995007068-A1 OXIDATION DYES CONTAINING 2-HYDROXY-4-AMINOBENZENE DERIVATIVES AS COUPLERS AND HYDROXYTRIAMINOPYRIMIDINES OR DIHYDROXYDIAMINOPYRIMIDINES AS DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-03-16 WO disclosed
US-5318599-A Triaminohydroxypyrimidine and/or diaminodihydroxypyrimidine; 3 -amino-2-methylamino-6-methoxypyridine; natural-looking color GOLDWELL AG (DE) 1994-06-07 US disclosed
EP-0542129-A1 Hair dye composition GOLDWELL GmbH (DE) 1993-05-19 EP disclosed
US-5176716-A Hydroxytriaminopyrimidine developer GOLDWELL AG (DE) 1993-01-05 US 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-10813869-B2 Aqueous oxidizing composition LPO, NOX4, NOX5 PDPK1 3852/4885DCPS 1031/4885ADORA2A 3189/4885
US-20050257333-A1 Composition for coloring of keratin fibers KRT18, H1-5, POLR1C PDPK1 4307/4885DCPS 2355/4885ADORA2A 3175/4885

“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.