SCHEMBL1355488

SCHEMBL1355488

CCn1cnc2c(NCc3cc(I)ccc3N)nc(NCC(C)O)nc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.48
▸ CDK1 P06493 4/20 0.48
▸ CDK9 P50750 5/20 0.45
▸ CCNE1 P24864 5/20 0.45
▸ CDK5 Q00535 4/20 0.45
▸ CCNT1 O60563 3/20 0.45
▸ CDK5R1 Q15078 3/20 0.45
▸ CDK7 P50613 2/20 0.45
▸ CCNH P51946 2/20 0.45
▸ FLT3 P36888 2/20 0.44
▸ CCNK O75909 2/20 0.43
▸ CDK12 Q9NYV4 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ PRKCA P17252 1/20 0.41

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
SCHEMBL15118166 0.90 CDK2 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354734 0.90 CDK2 (0.49) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354848 0.90 CDK2 (0.48) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354855 0.89 CDK2 (0.49) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354829 0.89 CDK2 (0.49) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354475 0.89 CDK2 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354843 0.89 FLT3 (0.59) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354952 0.88 CDK2 (0.64) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1352705 0.88 CDK1 (0.50) CDK2CDK1CDK9CCNE1CDK5
SCHEMBL1354904 0.87 CDK2 (0.59) CDK2CDK1CDK9CCNE1CDK5

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
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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

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 3/4885CDK1 4/4885CDK9 12/4885

“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.

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