SCHEMBL1353804

SCHEMBL1353804

CCC(CO)Nc1nc(NCc2ccccc2N)c2ncn(C3CCCCC3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.68
CCNE1 P24864 15/20 0.68
CDK1 P06493 8/20 0.68
CDK5 Q00535 6/20 0.57
CDK9 P50750 5/20 0.57
CACNA1B Q00975 3/20 0.57
CCNB1 P14635 3/20 0.57
CCNT1 O60563 3/20 0.57
CDK5R1 Q15078 3/20 0.57
CCNB2 O95067 2/20 0.57
CCNB3 Q8WWL7 2/20 0.57
CCNE2 O96020 3/20 0.55
AURKA O14965 1/20 0.55
CCNA2 P20248 4/20 0.54
CCNA1 P78396 4/20 0.54
CDK7 P50613 5/20 0.53
CCNH P51946 3/20 0.53
CCNK O75909 3/20 0.53
CDK12 Q9NYV4 3/20 0.53
CSNK1D P48730 2/20 0.53

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
SCHEMBL1354326 0.90 CDK2 (0.63) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1354380 0.90 CDK2 (0.61) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1354489 0.90 CDK2 (0.61) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1355670 0.89 CDK2 (0.60) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1352488 0.89 CDK2 (0.60) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1353916 0.89 CDK2 (0.60) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1354340 0.88 CDK1 (0.64) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1353751 0.88 CDK2 (0.63) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1355787 0.87 CDK2 (0.58) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL1355079 0.87 CDK2 (0.60) CDK2CCNE1CDK1CDK5CDK9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023857-B2 Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-05-05 US disclosed
EP-2391626-B1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-10-01 EP disclosed
EP-2391626-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2011-12-07 EP disclosed
US-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-24 US disclosed
WO-2010085924-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-08-05 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-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS CDK6, CCNI, CDK2 CDK2 3/4885CCNE1 55/4885CDK1 4/4885

“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.