SCHEMBL2803307

SCHEMBL2803307

CCc1cccc(O)c1CNc1ncnc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
AURKA O14965 8/20 0.37
RPS6KB1 P23443 8/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
AURKB Q96GD4 1/20 0.35
PTK2 Q05397 1/20 0.35
POLB P06746 1/20 0.35
PDPK1 O15530 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL4923999 0.89 CDK1 (0.40) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL2805437 0.86 GABRA1 (0.44) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL2809348 0.85 CDK1 (0.34) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL2803801 0.85 CYP3A4 (0.48) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4924737 0.84 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL16147217 0.84 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4913622 0.83 LMNA (0.43) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4915786 0.83 POLB (0.46) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4913874 0.83 AURKA (0.38) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4924674 0.82 TSHR (0.46) CCNB2CDK1CCNB1CCNB3AURKA

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 10 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-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.