SCHEMBL5329331

SCHEMBL5329331

N#Cc1c(N)ccnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.56
ADORA2A P29274 17/20 0.56
HSD17B10 Q99714 1/20 0.50
ADORA2B P29275 2/20 0.47
XDH P47989 1/20 0.46
CHUK O15111 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CLK2 P49760 1/20 0.46
MAPK10 P53779 1/20 0.46
ITK Q08881 1/20 0.46
MAP4K2 Q12851 1/20 0.46
PASK Q96RG2 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL7219981 0.80 ALDH1A1 (0.61) ADORA1ADORA2AHSD17B10CDK2
SCHEMBL17610510 0.78 PIM1 (0.53) ADORA1ADORA2AMAP4K4MAPK8CLK2
SCHEMBL5482010 0.77 LMNA (0.56) ADORA1ADORA2AHSD17B10
SCHEMBL10429370 0.75 ADORA1 (0.54) ADORA1ADORA2AHSD17B10CHUKCLK4
SCHEMBL4058635 0.75 CDK5 (0.47) ADORA1ADORA2AHSD17B10MAPK9CLK4
SCHEMBL2977679 0.75 ALDH1A1 (0.44) ADORA1ADORA2AHSD17B10
SCHEMBL5336780 0.75 ADORA1 (0.55) ADORA1ADORA2AADORA2B
SCHEMBL1145014 0.74 ADORA1 (0.64) ADORA1ADORA2AHSD17B10ADORA2BXDH
SCHEMBL5480716 0.73 ADORA2A (0.56) ADORA1ADORA2AHSD17B10
SCHEMBL10075618 0.73 CDK5 (0.46) ADORA1ADORA2AXDHMAPK9CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 US disclosed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 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 (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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 ADORA1 671/4885ADORA2A 1009/4885HSD17B10 4631/4885

“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.