SCHEMBL1355455

SCHEMBL1355455

CC(O)CNc1nc(NCc2cccc(Cl)c2N)c2ncn(C3CCCCC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.64
CDK1 P06493 11/20 0.53
CDK2 P24941 9/20 0.53
CCNE1 P24864 8/20 0.53
TDP1 Q9NUW8 1/20 0.52
CCNE2 O96020 3/20 0.47
CCNB2 O95067 2/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
CCNA2 P20248 1/20 0.45
CCNA1 P78396 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
SCHEMBL1355449 0.92 FLT3 (0.60) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL15118066 0.92 FLT3 (0.64) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1354602 0.90 FLT3 (0.52) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1354334 0.90 FLT3 (0.57) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1354419 0.89 CDK2 (0.67) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1354872 0.87 CDK2 (0.52) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1353875 0.87 CCNE1 (0.61) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1353756 0.86 CCNE1 (0.51) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1353783 0.86 CCNE1 (0.51) FLT3CDK1CDK2CCNE1TDP1
SCHEMBL1354822 0.86 CDK1 (0.53) FLT3CDK1CDK2CCNE1TDP1

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 690/4885CDK1 4/4885CDK2 3/4885

“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.