SCHEMBL2803759

SCHEMBL2803759

CC(C)c1ccc(O)c(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 0.47
CDK1 P06493 11/20 0.47
CCNB1 P14635 11/20 0.47
CCNB3 Q8WWL7 11/20 0.47
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNT1 O60563 2/20 0.33
CCNE1 P24864 2/20 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
SCHEMBL2807271 0.87 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL2809181 0.84 NPSR1 (0.48) CCNB2CDK1CCNB1CCNB3GAA
SCHEMBL4922650 0.84 EGFR (0.47) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL2803764 0.83 LMNA (0.53) HTTHIF1ACYP1A2CYP3A4TP53
SCHEMBL2808819 0.82 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL4916566 0.82 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL4921347 0.82 MEN1 (0.46) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL4926205 0.82 CASP6 (0.42) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL4923846 0.82 POLB (0.48) HTTALDH1A1ALOX12HIF1ACYP3A4
SCHEMBL4922253 0.81 CA1 (0.47) CCNB2CDK1CCNB1CCNB3GAA

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 8 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-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 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.