SCHEMBL3311949

SCHEMBL3311949

NN1CCNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.40
PIM1 P11309 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
BRPF1 P55201 1/20 0.39
ADRB1 P08588 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HSD17B3 P37058 1/20 0.33
KDM1A O60341 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTPN11 Q06124 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP2 P08253 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
SCHEMBL4265285 0.78 BRPF1 (0.41) BRD4MEN1GAAKMT2ABRPF1
Hydrochloric Acid SCHEMBL29450350 0.77 BRPF1 (0.40) BRD4MEN1GAAKMT2ABRPF1
SCHEMBL28833094 0.77 BRD4 (0.41) AVPR1APIM1BRD4MEN1GAA
SCHEMBL20541090 0.76 AVPR1A (0.39) AVPR1APIM1BRD4MEN1GAA
SCHEMBL30463209 0.75 BRPF1 (0.47) AVPR1APIM1BRD4MEN1GAA
SCHEMBL305967 0.75 BRPF1 (0.47) AVPR1APIM1BRD4MEN1GAA
SCHEMBL28886074 0.75 AVPR1A (0.40) AVPR1APIM1BRD4MEN1GAA
SCHEMBL19157283 0.75 AVPR1A (0.40) AVPR1APIM1BRD4MEN1GAA
SCHEMBL728158 0.75 AVPR1A (0.43) AVPR1APIM1BRD4MEN1GAA
SCHEMBL27934901 0.75 AVPR1A (0.40) AVPR1APIM1BRD4MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6679923-B2 HAIR DYEING FORMULATION CONTAINING PYRAZOLIN-4,5-DIONES AND AT LEAST ONE AROMATIC PRIMARY AMINE ENABLES THE DYEING OF KERATIN FIBERS WITHOUT AND OXIDIZING AGENT IN SHADES WHICH ARE STRONG, VARIED, RESISTANT AND LESS SELECTIVE L'OREAL S.A. (FR) 2004-01-20 US claimed
US-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine L'OREAL S.A. (FR) 2002-12-26 US claimed
US-6464732-B2 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-10-15 US claimed
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL S.A. (FR) 2002-04-11 US claimed
EP-0981320-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 2000-03-01 EP claimed
WO-1998051268-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 1998-11-19 WO claimed
EP-3609891-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA CELLULAR THERAPIES INC (US) 2026-02-11 EP disclosed
US-20250101022-A1 PROCESS FOR PREPARING INTERMEDIATES FOR 1-(4-FLUOROPHENYL)-4-((6bR,10aS)-3-METHYL-2,3,6b,9,10,10a-HEXAHYDRO-1H-PYRIDO[3’,4’:4,5]PYRROLO[1,2,3-de]QUINOXALIN-8(7H)-YL)BUTAN-1-ONE INTRA-CELLULAR THERAPIES, INC. (US) 2025-03-27 US disclosed
US-12139490-B2 Process for preparing 1-(4-fluorophenyl)-4-((6bR, 10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)butan-1-one INTRA-CELLULAR THERAPIES, INC. (US) 2024-11-12 US disclosed
US-20240327409-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2024-10-03 US disclosed
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2023-01-12 US disclosed
US-20220332716-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-20 US disclosed
US-11453670-B2 Substituted heterocycle fused gamma-carbolines synthesis INTRA-CELLULAR THERAPIES, INC. (US) 2022-09-27 US disclosed
US-20100113781-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS INTRACELLULAR THERAPIES, INC. (US) 2010-05-06 US disclosed
US-6679923-B2 HAIR DYEING FORMULATION CONTAINING PYRAZOLIN-4,5-DIONES AND AT LEAST ONE AROMATIC PRIMARY AMINE ENABLES THE DYEING OF KERATIN FIBERS WITHOUT AND OXIDIZING AGENT IN SHADES WHICH ARE STRONG, VARIED, RESISTANT AND LESS SELECTIVE L'OREAL S.A. (FR) 2004-01-20 US disclosed
US-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine L'OREAL S.A. (FR) 2002-12-26 US disclosed
US-6464732-B2 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-10-15 US disclosed
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL S.A. (FR) 2002-04-11 US disclosed
EP-0981320-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 2000-03-01 EP disclosed
WO-1998051268-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 1998-11-19 WO 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 (9 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-20220332716-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 AVPR1A 2956/4885PIM1 1726/4885BRD4 135/4885
US-20240327409-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 AVPR1A 3057/4885PIM1 1874/4885BRD4 155/4885
US-20250101022-A1 PROCESS FOR PREPARING INTERMEDIATES FOR 1-(4-FLUOROPHENYL)-4-((6bR,10aS)-3-METHYL-2,3,6b,9,10,10a-HEXAHYDRO-1H-PYRIDO[3’,4’:4,5]PYRROLO[1,2,3-de]QUINOXALIN-8(7H)-YL)BUTAN-1-ONE CYP1B1, CYP4B1, CBR1 AVPR1A 2201/4885PIM1 2111/4885BRD4 100/4885
US-20100113781-A1 SUBSTITUTED HETEROCYCLE GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, CBR3 AVPR1A 2731/4885PIM1 1733/4885BRD4 123/4885
US-11453670-B2 Substituted heterocycle fused gamma-carbolines synthesis HCCS, CYCS, CBR3 AVPR1A 3057/4885PIM1 1874/4885BRD4 155/4885
US-20230009130-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 AVPR1A 3057/4885PIM1 1874/4885BRD4 155/4885
US-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine KRT18, KLK5, MARK1 AVPR1A 3179/4885PIM1 2126/4885BRD4 329/4885
US-12139490-B2 Process for preparing 1-(4-fluorophenyl)-4-((6bR, 10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)butan-1-one CYP1B1, CYP4B1, CBR1 AVPR1A 2022/4885PIM1 2635/4885BRD4 112/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 AVPR1A 3348/4885PIM1 2611/4885BRD4 233/4885

“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.