SCHEMBL2808792

SCHEMBL2808792

CCCCCNc1ncnc2c(C)[nH]nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 6/20 0.69
CDK1 P06493 6/20 0.69
CCNB1 P14635 6/20 0.69
CCNB3 Q8WWL7 6/20 0.69
YTHDC1 Q96MU7 1/20 0.58
YTHDF2 Q9Y5A9 1/20 0.58
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
S1PR2 O95136 1/20 0.46
KHK P50053 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC29A1 Q99808 1/20 0.38
DNM2 P50570 2/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL11830086 0.99 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL11829824 0.99 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL11834537 0.99 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL11841743 0.95 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL11831182 0.82 YTHDC1 (0.61) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL3234796 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL11831368 0.79 YTHDC1 (0.58) CCNB2CDK1CCNB1CCNB3YTHDC1
SCHEMBL2808798 0.78 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11829828 0.77 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL11830093 0.77 CCNB2 (0.55) 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.