SCHEMBL12127635

SCHEMBL12127635

C#Cc1ncnc2c1CCN2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.37
DRD1 P21728 2/20 0.35
AKT1S1 Q96B36 5/20 0.34
KDR P35968 4/20 0.33
JAK2 O60674 2/20 0.33
CHEK1 O14757 2/20 0.33
DAPK3 O43293 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
RET P07949 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
LTK P29376 2/20 0.33
GRK5 P34947 2/20 0.33
CSNK1A1 P48729 2/20 0.33
CDK8 P49336 2/20 0.33
CDK7 P50613 2/20 0.33
RPS6KA3 P51812 2/20 0.33
LIMK1 P53667 2/20 0.33
CDK5 Q00535 2/20 0.33

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
SCHEMBL795294 0.75 DRD1 (0.49) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL12127876 0.72 ADK (0.43) NNMTAKT1S1KDRJAK2CHEK1
SCHEMBL3803152 0.71 NNMT (0.44) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL12832924 0.67 MKNK1 (0.45) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL17041850 0.67 NNMT (0.41) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL2600057 0.67 DRD1 (0.49) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL16812277 0.67 NNMT (0.41) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL17541159 0.64 NNMT (0.60) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL5635227 0.64 UHRF1 (0.49) NNMTDRD1AKT1S1KDRJAK2
SCHEMBL12127625 0.64 EGLN2 (0.33) NNMTDRD1KDRMETGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 NNMT 2232/4885DRD1 4851/4885AKT1S1 159/4885

“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.