SCHEMBL33601

SCHEMBL33601

Nc1cnn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.47
MAP4K4 O95819 1/20 0.47
DRD3 P35462 5/20 0.42
DRD4 P21917 4/20 0.42
EPHB3 P54753 7/20 0.41
DYRK1A Q13627 1/20 0.41
RIPK2 O43353 1/20 0.40
LCK P06239 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
EGFR P00533 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 2/20 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
Hydrochloric Acid SCHEMBL14955856 0.98 SMPD3 (0.46) SMPD3MAP4K4DRD3DRD4EPHB3
Hydrochloric Acid SCHEMBL7826485 0.98 SMPD3 (0.46) SMPD3MAP4K4DRD3DRD4EPHB3
SCHEMBL22995014 0.78 EPHB3 (0.50) MAP4K4DRD3DRD4EPHB3DYRK1A
SCHEMBL15883633 0.78 MAP4K4 (0.47) SMPD3MAP4K4DRD3DRD4DYRK1A
SCHEMBL18399563 0.77 MAP4K4 (0.43) SMPD3MAP4K4DRD3DRD4EPHB3
SCHEMBL30489874 0.76 MAP4K4 (0.53) SMPD3MAP4K4DRD3DRD4DYRK1A
SCHEMBL4285576 0.74 CCNK (0.43) MAP4K4DRD3DRD4EPHB3DYRK1A
SCHEMBL84746 0.74 NPC1 (0.47) MAP4K4DRD3DRD4EPHB3DYRK1A
SCHEMBL3485186 0.74 DRD3 (0.47) DRD3DRD4EPHB3DYRK1ARIPK2
SCHEMBL12456009 0.74 DRD3 (0.42) MAP4K4DRD3DRD4EPHB3DYRK1A

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 1921 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
EP-3474815-B1 PROCESS FOR TREATING KERATIN FIBERS USING AN ANHYDROUS COMPOSITION COMPRISING A COMPOUND OF AZOMETHINE TYPE COMPRISING TWO PYRAZOLOPYRIDINE UNITS AND AN AQUEOUS COMPOSITION OREAL (FR) 2022-03-16 EP claimed
US-11213471-B2 Composition for dyeing the hair, comprising an oxidation base, a 2-amino-5-ethylphenol coupler and a fatty substance L'OREAL (FR) 2022-01-04 US claimed
WO-2021083899-A1 PROCESS FOR PREPARING A DYE COMPOSITION COMPRISING THE MIXING OF SOLID PARTICLES WITH AN AQUEOUS COMPOSITION CONTAINING ARGININE, AND THE USE THEREOF L'OREAL (FR) 2021-05-06 WO claimed
WO-2021083900-A1 METHOD FOR THE TREATMENT OF KERATIN FIBRES BY MEANS OF A COMPOSITION CONTAINING ARGININE AND OF AN OXIDIZING COMPOSITION L'OREAL (FR) 2021-05-06 WO claimed
WO-2021083901-A1 PROCESS FOR PREPARING A DYE COMPOSITION, COMPRISING THE MIXING OF AT LEAST TWO TYPES OF SOLID PARTICLES WITH AN AQUEOUS COMPOSITION, AND USE THEREOF L'OREAL (FR) 2021-05-06 WO 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-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 EP claimed
US-10596091-B2 Hair color-altering compositions L'OREAL (FR) 2020-03-24 US 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-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-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
WO-2003028688-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A HETEROCYCLIC OXIDATION BASE AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO 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-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
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-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
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 (5 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 81/4885DRD3 3910/4885
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 1753/4885DRD3 2339/4885
US-10596091-B2 Hair color-altering compositions ALDH7A1, ABAT, AADAT SMPD3 665/4885MAP4K4 3472/4885DRD3 967/4885
US-11213471-B2 Composition for dyeing the hair, comprising an oxidation base, a 2-amino-5-ethylphenol coupler and a fatty substance COX5B, KRT18, COX5A SMPD3 3874/4885MAP4K4 2605/4885DRD3 1703/4885
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 70/4885DRD3 3671/4885

“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.