SCHEMBL12417531

SCHEMBL12417531

C#Cc1nc(N)c2ncn(C)c2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.58
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
CCNB1 P14635 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
YTHDC1 Q96MU7 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA2B P29275 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
SCHEMBL14375140 0.82 CDK1 (0.57) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL4572145 0.80 ADORA2A (0.56) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL24954186 0.80 CDK1 (0.46) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL31106979 0.80 CDK1 (0.46) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL19779231 0.80 PI4KA (0.54) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL12379216 0.80 CDK1 (0.65) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL14401041 0.80 CDK1 (0.65) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL19760046 0.77 CDK1 (0.50) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL19618133 0.77 CDK1 (0.50) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL129642 0.77 CDK1 (0.68) CDK1ADORA2AADORA1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CDK1 2791/4885ADORA2A 2428/4885ADORA1 865/4885

“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.