SCHEMBL33844

SCHEMBL33844

Nc1cccn2ncc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 9/20 0.47
MAP4K4 O95819 1/20 0.42
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
EPHB3 P54753 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL6767302 0.98 SMPD3 (0.46) SMPD3MAP4K4PTGS1PTGS2EPHB3
Hydrochloric Acid SCHEMBL6764796 0.98 SMPD3 (0.46) SMPD3MAP4K4PTGS1PTGS2EPHB3
SCHEMBL23872464 0.82 SMPD3 (0.43) SMPD3MAP4K4EPHB3MEN1ALDH1A1
SCHEMBL34100 0.82 SMPD3 (0.43) SMPD3MAP4K4PTGS1PTGS2EPHB3
SCHEMBL3319532 0.82 SMPD3 (0.43) SMPD3MAP4K4EPHB3CYP3A4KDM4E
SCHEMBL22834624 0.77 JAK2 (0.43) SMPD3PTGS1CASP1CASP7KDM4E
SCHEMBL19030080 0.71 SMPD3 (0.38) SMPD3MAP4K4ALDH1A1
SCHEMBL33601 0.70 SMPD3 (0.47) SMPD3MAP4K4EPHB3SMN1; SMN2GAA
SCHEMBL15883633 0.69 MAP4K4 (0.47) SMPD3MAP4K4CYP3A4KDM4ENPC1
Hydrochloric Acid SCHEMBL14955856 0.68 SMPD3 (0.46) SMPD3MAP4K4EPHB3SMN1; SMN2GAA

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 1673 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler L'OREAL (FR) 2023-08-22 US claimed
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2020-12-17 US claimed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP claimed
EP-3464247-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2019-04-10 EP claimed
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-12-27 US claimed
EP-3393445-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-10-31 EP claimed
WO-2017202884-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2017-11-30 WO claimed
WO-2017108847-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2017-06-29 WO claimed
EP-1372586-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE AND ONE AMINOPHENOL COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
EP-1372585-A1 OXIDATION DYEING COMPOSITION 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE AND ONE PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
EP-1372582-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2004-01-02 EP claimed
EP-1372583-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
WO-2002076417-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076416-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076418-A1 OXIDATION DYEING COMPOSITION 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE AND ONE PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
WO-2002076419-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE AND ONE AMINOPHENOL COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP claimed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO claimed

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-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES KRT18, ALK, AOC1 SMPD3 3857/4885MAP4K4 81/4885PTGS1 3438/4885
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER KRT18, COX5B, COX5A SMPD3 4750/4885MAP4K4 1753/4885PTGS1 2925/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A SMPD3 4750/4885MAP4K4 1753/4885PTGS1 2925/4885
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres KRT18, ALK, AOC1 SMPD3 3449/4885MAP4K4 70/4885PTGS1 3137/4885

“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.