SCHEMBL2809181

SCHEMBL2809181

Cc1ccc(O)c(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 2/20 0.44
PRMT1 Q99873 1/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
CCNT1 O60563 1/20 0.39
CCNT2 O60583 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 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
SCHEMBL2804695 0.90 PRMT1 (0.41) NPSR1MEN1KMT2AMAPTGAA
SCHEMBL4922650 0.87 EGFR (0.47) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL2805416 0.86 PRMT1 (0.42) MEN1KMT2AMAPTPRMT1HPGD
SCHEMBL2808819 0.85 CCNB2 (0.40) MAPTPRMT1CCNB2CDK1CCNB1
SCHEMBL4926205 0.85 CASP6 (0.42) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL4921347 0.85 MEN1 (0.46) MEN1KMT2AMAPTPKMCCNB2
SCHEMBL4923846 0.85 POLB (0.48) NPSR1MEN1KMT2AMAPTPKM
SCHEMBL4916566 0.85 CCNB2 (0.39) NPSR1MEN1KMT2AMAPTPKM
SCHEMBL4925510 0.85 PRMT1 (0.43) MEN1KMT2AMAPTGAAPRMT1
SCHEMBL2803759 0.84 CCNB2 (0.47) GAACCNB2CDK1CCNB1CCNB3

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 11 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
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 claimed
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 claimed
EP-2203451-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-07-07 EP claimed
WO-2009043320-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-04-09 WO claimed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP disclosed
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
EP-2203451-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-07-07 EP disclosed
WO-2009043320-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-04-09 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 (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 NPSR1 103/4885MEN1 2235/4885KMT2A 3395/4885
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives ADORA2A, P2RY6, P2RY1 NPSR1 79/4885MEN1 2163/4885KMT2A 3070/4885

“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.