SCHEMBL2807271

SCHEMBL2807271

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 10/20 0.38
CDK1 P06493 10/20 0.38
CCNB1 P14635 10/20 0.38
CCNB3 Q8WWL7 10/20 0.38
EGFR P00533 1/20 0.36
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
PRMT1 Q99873 1/20 0.33
CDK2 P24941 3/20 0.32
CCNE1 P24864 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CDK5 Q00535 1/20 0.31

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
SCHEMBL2803759 0.87 CCNB2 (0.47) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL2805416 0.84 PRMT1 (0.42) EGFRTSHRTP53SMN1; SMN2HSD17B10
SCHEMBL2807272 0.84 LMNA (0.53) TSHRTP53SMN1; SMN2HSD17B10LMNA
SCHEMBL4911853 0.84 EGFR (0.39) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL2806352 0.82 NPC1 (0.38) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL1352877 0.78 EGFR (0.52) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL2807550 0.77 PRMT1 (0.42) EGFRTSHRTP53SMN1; SMN2HSD17B10
SCHEMBL2807501 0.76 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3EGFR
SCHEMBL4921869 0.74 EGFR (0.37) EGFRTSHRTP53SMN1; SMN2HSD17B10
SCHEMBL4923473 0.74 CDC7 (0.42) EGFRTSHRSMN1; SMN2HSD17B10LMNA

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.