SCHEMBL238727

SCHEMBL238727

Nc1cnc2ccnn2c1N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.56
KDR P35968 9/20 0.39
MKNK1 Q9BUB5 1/20 0.37
PDE10A Q9Y233 1/20 0.33
LRRK2 Q5S007 1/20 0.32
DYRK1A Q13627 2/20 0.31
DYRK3 O43781 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL33377880 0.80 DGAT1 (0.53) DGAT1KDRMKNK1PDE10ADYRK1A
SCHEMBL234660 0.76 DGAT1 (0.49) DGAT1KDRMKNK1LRRK2
SCHEMBL16866775 0.76 KDM4E (0.52) DGAT1KDR
SCHEMBL235971 0.76 DGAT1 (0.53) DGAT1KDRMKNK1
SCHEMBL1759113 0.74 KDM4E (0.48) DGAT1KDR
SCHEMBL12647972 0.73 DGAT1 (0.48) DGAT1KDR
SCHEMBL2755258 0.71 ALDH1A1 (0.46) DGAT1KDR
SCHEMBL2755165 0.70 ALDH1A1 (0.45) DGAT1KDR
SCHEMBL12647975 0.70 DGAT1 (0.43) DGAT1KDR
SCHEMBL12663993 0.70 DGAT1 (0.55) DGAT1KDR

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-0847271-B1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE OREAL (FR) 2002-05-02 EP claimed
JP-3016599-B2 2000-03-06 JP claimed
EP-0847271-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1998-06-17 EP claimed
WO-1997049378-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1997-12-31 WO claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
EP-0847271-B1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE OREAL (FR) 2002-05-02 EP disclosed
US-6099593-A (DI)AMINO-SUBSTITUTED PYRAZOLO(1,5-A)PYRIMIDINES AS OXIDATION BASE; PRODUCE INTENSE COLORATIONS AND WHICH HAVE GOOD RESISTANCE TO EXTERNAL AGENTS SUCH AS LIGHT, WEATHER, WASHING, ARE READILY SYNTHESIZABLE AND ARE CHEMICALLY STABLE L'OREAL (FR) 2000-08-08 US disclosed
US-6077320-A DYEING HAIR WITHOUT AN OXIDIZER BY REACTION OF HAIR DYE WITH A PRIMARY OR SECONDARY AMINE-FUNCTIONAL COMPOUND IN THE DYE MEDIUM L'OREAL (FR) 2000-06-20 US disclosed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP disclosed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 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 (1 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 DGAT1 2268/4885KDR 2067/4885MKNK1 160/4885

“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.