SCHEMBL7063138

SCHEMBL7063138

C=CCn1cnc2c(N)nc(N)nc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.64
CCNB1 P14635 3/20 0.64
CCNE1 P24864 3/20 0.64
CDK2 P24941 3/20 0.64
ADORA2A P29274 2/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
SLC2A1 P11166 1/20 0.43
AHCY P23526 7/20 0.42
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL5999274 0.84 CDK1 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3441002 0.84 CDK1 (0.54) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL30586349 0.84 CCNE1 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL7057757 0.84 CCNE1 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL30586395 0.84 HSP90AA1 (0.48) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL2054791 0.84 HSP90AB1 (0.52) HSP90AA1HSP90AB1
SCHEMBL27516653 0.81 CCNE1 (0.70) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24709725 0.80 CCNE1 (0.72) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21137280 0.80 CCNE1 (0.72) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL1798270 0.79 ADORA2A (0.72) ADORA2AAHCYADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097939-B1 Method for the synthesis of isoguanosine and of its 2'-derivatives BAYER AG (US) 2004-02-11 EP disclosed
EP-0778898-B1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES BAYER AG (US) 2002-11-13 EP disclosed
US-20010026918-A1 Reduction of nonspecific hybridization by using novel base-pairing schemes COLLINS MARK L (US) 2001-10-04 US disclosed
US-6232462-B1 SYNTHESIS OF AN ISOGUANOSINE DERIVATIVE USED AS ANTISENSE AND APTAMER THERAPEUTICS AND DRUG DISCOVERY BAYER CORPORATION 2001-05-15 US disclosed
EP-1097939-A2 Method for the synthesis of isoguanosine and its 2'-derivatives Bayer Corporation (US) 2001-05-09 EP disclosed
WO-1996006950-A9 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES 1997-05-09 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-20010026918-A1 Reduction of nonspecific hybridization by using novel base-pairing schemes UNG, SAMHD1, RNGTT CDK1 3625/4885CCNB1 3099/4885CCNE1 3075/4885

“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.