SCHEMBL6155249

SCHEMBL6155249

Nc1n[nH]c2c(N)ncnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.44
PI4KA P42356 5/20 0.43
PI4K2B Q8TCG2 5/20 0.43
PI4K2A Q9BTU6 5/20 0.43
PI4KB Q9UBF8 5/20 0.43
XDH P47989 2/20 0.43
LRRK2 Q5S007 2/20 0.43
LMNA P02545 1/20 0.43
DRD3 P35462 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
RET P07949 2/20 0.39
DYRK1A Q13627 2/20 0.38
CHEK1 O14757 1/20 0.36
FLT3 P36888 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
NUDT1 P36639 2/20 0.36
MAP4K4 O95819 2/20 0.35
KDR P35968 2/20 0.35

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 SCHEMBL7166188 0.98 PI4KA (0.45) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6322370 0.83 DYRK1A (0.34) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3113393 0.80 LIMK1 (0.41) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10120030 0.80 PI4KA (0.44) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6672924 0.78 CHEK1 (0.43) LIMK1LRRK2DYRK1ACHEK1FLT3
SCHEMBL14074704 0.76 FFAR2 (0.33) LIMK1DYRK1A
SCHEMBL21539447 0.76 MTAP (0.39) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL19402816 0.76 PIK3CD (0.38) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14005628 0.76 LIMK1 (0.38) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6205025 0.74 HTT (0.48) PI4KAPI4K2BPI4K2API4KBLRRK2

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 24 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-1040817-B1 Dyeing composition comprising a pyrazolo(1,5-a)pyrimidine and a monocyclic polyaminopyrimidine as oxidation bases and a coupler, and dyeing process OREAL (FR) 2005-02-02 EP disclosed
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP disclosed
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP 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
EP-1030647-B1 DYEING COMPOSITION CONTAINING A PYRAZOLO- 1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A NAPHTHALENE COUPLING AGENT, AND DYEING METHOD OREAL (FR) 2003-12-03 EP disclosed
EP-1030648-B1 DYEING COMPOSITION CONTAINING A PYRAZOLO- 1,5-a]-PYRIMIDINE AS OXIDATION BASE AND A PYRIDINE COUPLING AGENT, AND DYEING METHOD OREAL (FR) 2003-12-03 EP disclosed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
EP-0891181-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2003-05-14 EP disclosed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP disclosed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP disclosed
US-6231623-B1 OXIDATIVE DYES L'OREAL S.A. (FR) 2001-05-15 US disclosed
EP-1040817-A1 Dyeing composition comprising a pyrazolo(1,5-a)pyrimidine and a monocyclic polyaminopyrimidine as oxidation bases and a coupler, and dyeing process L'OREAL (FR) 2000-10-04 EP disclosed
EP-0984007-A1 Cationic orthophenylenediamines, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed
EP-0983996-A1 Cationic ortho-phenylenediamines, their use for oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP 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 (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-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine KRT18, KLK5, MARK1 LIMK1 1731/4885PI4KA 2316/4885PI4K2B 2958/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 LIMK1 2159/4885PI4KA 2505/4885PI4K2B 3109/4885

“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.