SCHEMBL1354997

SCHEMBL1354997

CC(O)CNc1nc(NCc2cccc(Cl)c2N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.62
▸ CDK2 P24941 8/20 0.58
▸ CDK1 P06493 6/20 0.58
▸ CDK9 P50750 3/20 0.50
▸ CDK5 Q00535 4/20 0.49
▸ CCNE1 P24864 4/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CDK5R1 Q15078 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ CTSL P07711 2/20 0.46
▸ CDK7 P50613 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45

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
SCHEMBL1354189 0.93 FLT3 (0.62) FLT3CDK2CDK1CDK9CDK5
SCHEMBL15117985 0.91 FLT3 (0.62) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1354422 0.90 CDK1 (0.52) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1354801 0.90 FLT3 (0.65) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1354095 0.90 FLT3 (0.58) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1355663 0.90 FLT3 (0.50) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1353699 0.86 CDK2 (0.61) CDK2CDK1CDK9CDK5CCNE1
SCHEMBL1354446 0.86 CDK2 (0.53) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1354737 0.86 FLT3 (0.60) FLT3CDK2CDK1CDK9CDK5
SCHEMBL1352325 0.86 CDK2 (0.58) FLT3CDK2CDK1CDK9CDK5

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 FLT3 690/4885CDK2 3/4885CDK1 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.

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