SCHEMBL3835753

SCHEMBL3835753

C[N+]1(C)CCN(CCNc2nn3ccccc3c2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.39
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
DRD2 P14416 1/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
ACHE P22303 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3839724 0.88 DRD2 (0.38) KAT2BDRD4DRD3DRD2CHRM1
SCHEMBL19052302 0.87 KAT2B (0.39) KAT2BDRD4DRD3DRD2CHRM1
SCHEMBL1841847 0.86 KAT2B (0.51) KAT2BDRD4DRD3DRD2
SCHEMBL1841548 0.86 KAT2B (0.48) KAT2BDRD3ACHEIKBKBCHUK
Hydrochloric Acid SCHEMBL1839969 0.85 KAT2B (0.50) KAT2BDRD4DRD3DRD2
SCHEMBL10118459 0.85 DRD2 (0.48) KAT2BDRD4DRD3DRD2
Hydrochloric Acid SCHEMBL1842069 0.85 KAT2B (0.47) KAT2BDRD3ACHEIKBKBCHUK
SCHEMBL1842861 0.85 KAT2B (0.49) KAT2BACHEIKBKBCHUKKDM4E
SCHEMBL1842972 0.83 SMN1; SMN2 (0.49) CHRM1ACHESMN1; SMN2LMNACYP3A4
SCHEMBL1844920 0.83 LCK (0.44) KAT2BIKBKBCYP3A4KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP claimed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
EP-2155153-B1 DYEING COMPOSITION COMPRISING A SPECIFIC AMINOPYRAZOLOPYRIDINE OXIDATION BASE, A COUPLER AND A SPECIFIC SURFACTANT L'ORÉAL (FR) 2017-03-01 EP claimed
EP-2651935-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER ORÉAL L (FR) 2016-11-23 EP claimed
EP-1792903-B1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL (FR) 2009-10-14 EP claimed
US-7578856-B2 Dyeing compositions comprising at least one aminopyrazolopyridine oxidation base, at least one coupler and at least one C4-C30 polyol and methods and use thereof L'OREAL S.A. (FR) 2009-08-25 US claimed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP claimed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP claimed
EP-1992329-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base and a specific associative polymer L'Oréal (FR) 2008-11-19 EP claimed
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 disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
US-20170354580-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE L'OREAL (FR) 2017-12-14 US disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP disclosed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP disclosed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP disclosed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP disclosed
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 2007-06-21 US disclosed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 EP 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 (3 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-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof KRT18, COX5A, PNPO KAT2B 2553/4885DRD4 2760/4885DRD3 2868/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A KAT2B 428/4885DRD4 1516/4885DRD3 2339/4885
US-20170354580-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE KRT18, DSG1, SQOR KAT2B 964/4885DRD4 1607/4885DRD3 1922/4885

“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.