SCHEMBL2808798

SCHEMBL2808798

CCCCCNc1ncnc2c(C)n[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.56
CDK1 P06493 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
S1PR2 O95136 1/20 0.45
HTT P42858 3/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL11830093 0.99 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11834544 0.99 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11829828 0.99 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11841747 0.96 CCNB2 (0.51) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL3234802 0.82 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL10494971 0.80 CYP1A2 (0.51) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL2808792 0.78 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11829824 0.77 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11830086 0.77 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11834537 0.77 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203451-B1 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2014-07-30 EP disclosed
US-20130130906-A1 SUBSTITUTED 6-(ALKYLBENZYLAMINO) PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES FREIE UNIVERSITAT BERLIN (DE) 2013-05-23 US disclosed
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives FREIE UNIVERSITAT BERLIN (DE) 2010-09-23 US disclosed
US-4282361-A Synthesis for 7-alkylamino-3-methylpyrazolo [4,3-d]pyrimidines MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 US disclosed
US-3988338-A PLANT GROWTH REGULATORS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1976-10-26 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 (2 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-20130130906-A1 SUBSTITUTED 6-(ALKYLBENZYLAMINO) PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES ADORA2A, ADORA1, GART CCNB2 511/4885CDK1 402/4885CCNB1 317/4885
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives ADORA2A, P2RY6, P2RY1 CCNB2 599/4885CDK1 444/4885CCNB1 400/4885

“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.