SCHEMBL786603

SCHEMBL786603

CCC(Nc1nc(NCc2cc(S)ccc2O)c2ncn(Cc3ccccc3)c2n1)C(C)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.62
CDK7 P50613 16/20 0.62
CCNE1 P24864 14/20 0.62
CCNH P51946 14/20 0.62
CDK9 P50750 9/20 0.62
CDK5 Q00535 4/20 0.62
CCNT1 O60563 4/20 0.62
CDK5R1 Q15078 2/20 0.62
CDK1 P06493 13/20 0.59
CDK4 P11802 12/20 0.59
CCNB1 P14635 11/20 0.59
CCND1 P24385 10/20 0.59
MAPK1 P28482 10/20 0.59
MNAT1 P51948 1/20 0.51
CDK6 Q00534 1/20 0.51

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
SCHEMBL15118114 0.91 CDK2 (0.63) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL15117963 0.91 CDK2 (0.75) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL15118208 0.91 CDK2 (0.62) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL15118181 0.91 CDK2 (0.62) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL15117612 0.91 CDK2 (0.74) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL786564 0.90 CDK2 (0.65) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL15118022 0.89 CDK2 (0.60) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL785935 0.87 CDK2 (0.60) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL786323 0.87 CDK2 (0.58) CDK2CDK7CCNE1CCNHCDK9
SCHEMBL786849 0.86 CDK2 (0.66) CDK2CDK7CCNE1CCNHCDK9

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-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP claimed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US claimed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US claimed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
EP-2438068-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-04-11 EP disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
WO-2010139289-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-09 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 (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-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 CDK2 3/4885CDK7 8/4885CCNE1 80/4885

“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.