SCHEMBL14145481

SCHEMBL14145481

C#CCn1cnc2c(N)nc(C#C)nc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
AHCY P23526 1/20 0.40
ADORA2B P29275 2/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADORA2A P29274 5/20 0.36
ADORA1 P30542 4/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PDE8A O60658 1/20 0.36
TMIGD3 P0DMS9 1/20 0.34

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
SCHEMBL14401041 0.85 CDK1 (0.65) CDK1CCNB1CCNE1CDK2ADORA2B
SCHEMBL4572145 0.82 ADORA2A (0.56) CDK1CCNB1CCNE1CDK2ADORA2B
SCHEMBL3441186 0.82 CDK1 (0.54) CDK1CCNB1CCNE1CDK2PDE4D
SCHEMBL179439 0.81 PI4KA (0.57) CDK1CCNB1CCNE1CDK2ADORA2B
SCHEMBL14145054 0.80 ADORA2A (0.58) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19553535 0.79 ADORA2A (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15252931 0.78 ADORA2A (0.64) ADORA2BADORA2AADORA1
SCHEMBL15257782 0.77 ADORA2B (0.48) ADORA2BADORA2AADORA1
SCHEMBL3957296 0.76 AHCY (0.66) AHCYADORA2BADORA2AADORA1PI4KA
SCHEMBL12417531 0.76 CDK1 (0.58) CDK1CCNB1CCNE1CDK2ADORA2B

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-20080176858-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-07-24 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-20080176858-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA1, ADORA2B CDK1 1135/4885CCNB1 1699/4885CCNE1 1795/4885

“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.