SCHEMBL16987183

SCHEMBL16987183

Nc1ncnc(Cl)c1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ADK P55263 1/20 0.35
ADORA2A P29274 4/20 0.33
PIK3CD O00329 3/20 0.33
USP7 Q93009 1/20 0.33
RPS6KB1 P23443 3/20 0.32
AKT1 P31749 2/20 0.32
RET P07949 3/20 0.32
AHCY P23526 1/20 0.32
PI4KA P42356 3/20 0.32
PI4K2B Q8TCG2 3/20 0.32
PI4K2A Q9BTU6 3/20 0.32
PI4KB Q9UBF8 3/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
LIMK1 P53667 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 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
SCHEMBL16987138 0.92 ADK (0.40) HTTADKADORA2APIK3CDRPS6KB1
SCHEMBL541850 0.84 PDE10A (0.34) HTTPDE10A
SCHEMBL30981529 0.75 PDE10A (0.38) PDE10APIK3CD
SCHEMBL2059083 0.74 KMT2A (0.39) HTTADK
SCHEMBL21542992 0.71 HTT (0.46) HTTPDE10A
SCHEMBL31618452 0.71 APLNR (0.35) PIK3CD
SCHEMBL26686534 0.69 USP7 (0.35) PDE10AUSP7
SCHEMBL783585 0.67
SCHEMBL29799474 0.67
SCHEMBL1440581 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105224-A1 PYRIMIDINE IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2016-12-21 EP disclosed
CN-105980375-A Pyrimidine imidazole amines as modulators of kinase activity 默克专利有限公司 2016-09-28 CN disclosed
US-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 US disclosed
WO-2015123174-A1 PYRIMIDINE IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-08-20 WO disclosed
US-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2015-08-13 US 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-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity TK1, CHEK2, DCK HTT 4670/4885PDE10A 975/4885ADK 44/4885

“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.