SCHEMBL2804896

SCHEMBL2804896

Cc1cc(C)c(O)c(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.36
CCNB2 O95067 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
CCNB3 Q8WWL7 4/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PARP1 P09874 1/20 0.34
RPS6KB1 P23443 4/20 0.34
AURKA O14965 2/20 0.34
PIK3CD O00329 2/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2806215 0.86 PRMT1 (0.37) PRMT1LMNAALDH1A1MAPTPARP1
SCHEMBL2803250 0.85 CCNB2 (0.34) PRMT1CCNB2CDK1CCNB1CCNB3
SCHEMBL2803660 0.84 AURKA (0.46) CCNB2CDK1CCNB1CCNB3LMNA
SCHEMBL4922665 0.83 PRMT1 (0.41) PRMT1CCNB2CDK1CCNB1CCNB3
SCHEMBL2809181 0.82 NPSR1 (0.48) PRMT1CCNB2CDK1CCNB1CCNB3
SCHEMBL4925510 0.82 PRMT1 (0.43) PRMT1GAALMNAKDM4EALDH1A1
SCHEMBL2804899 0.81 PRMT1 (0.58) PRMT1LMNAAURKAPIK3CDTP53
SCHEMBL2809187 0.81 CCNB2 (0.37) PRMT1CCNB2CDK1CCNB1CCNB3
SCHEMBL2804695 0.80 PRMT1 (0.41) PRMT1CCNB2CDK1CCNB1CCNB3
SCHEMBL2806457 0.79 CCNB2 (0.36) PRMT1CCNB2CDK1CCNB1CCNB3

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 3 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 claimed
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-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

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-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives ADORA2A, P2RY6, P2RY1 PRMT1 1228/4885CCNB2 599/4885CDK1 444/4885

“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.