SCHEMBL5201246

SCHEMBL5201246

Cn1nc(-c2ccccc2)c(N=O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.46
CDK8 P49336 2/20 0.46
CSF1R P07333 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
CSNK1A1 P48729 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCQ Q04759 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
BRD4 O60885 1/20 0.42
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL15716071 0.81 CA1 (0.46) MAPTPOLBCDK8CSF1RFGFR1
SCHEMBL5201276 0.77 ESR1 (0.39) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL33804 0.77 MAPT (0.55) MAPTPOLBCDK8CSF1RFGFR1
SCHEMBL15716006 0.76 KDM4E (0.44) MAPTPOLBCDK8CSF1RFGFR1
SCHEMBL12636742 0.76 MAPT (0.51) MAPTPOLBCDK8CSF1RFGFR1
SCHEMBL19926278 0.75 MAPT (0.68) MAPTPOLBCDK8CSF1RFGFR1
Hydrochloric Acid SCHEMBL6259439 0.75 MAPT (0.53) MAPTPOLBCDK8CSF1RFGFR1
SCHEMBL4214390 0.75 MAPT (0.58) MAPTPOLBCDK8CSF1RFGFR1
SCHEMBL9384732 0.75 ADORA1 (0.42) MAPTCLK4KMT2AHTTMEN1
SCHEMBL13858455 0.74 MAPT (0.51) MAPTPOLBCDK8CSF1RFGFR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed
US-6645258-B2 Oxidation base selected from a 3-substituted 4,5-diaminopyrazoles; reacting L'OREAL, S.A. (FR) 2003-11-11 US disclosed
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2003-01-30 US disclosed
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US disclosed
US-6338741-B1 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES, OXIDATION HAIR DYES, STRONG COLORATION IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2002-01-15 US disclosed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 US disclosed
EP-0740931-B1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation OREAL (FR) 1997-08-20 EP disclosed
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO disclosed
EP-0740931-A1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation L'OREAL (FR) 1996-11-06 EP disclosed
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 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-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 MAPT 186/4885POLB 909/4885CDK8 1174/4885
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 MAPT 186/4885POLB 909/4885CDK8 1174/4885
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 MAPT 857/4885POLB 1213/4885CDK8 1189/4885

“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.