SCHEMBL4375250

SCHEMBL4375250

Cc1ccc(C(=O)N2CCC(Nc3nc(NC4CCC(N)CC4)nc4c3ncn4C3CCCC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.64
FLT3 P36888 10/20 0.64
PDGFRA P16234 8/20 0.64
SRC P12931 4/20 0.58
CCNE1 P24864 6/20 0.58
CDK1 P06493 4/20 0.56
CCNB2 O95067 3/20 0.56
CCNE2 O96020 3/20 0.56
CDK4 P11802 3/20 0.56
CCNB1 P14635 3/20 0.56
CCND1 P24385 3/20 0.56
CCNB3 Q8WWL7 3/20 0.56

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
SCHEMBL4375253 1.00 CDK2 (0.64) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4369308 0.92 CDK2 (0.62) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4369311 0.92 CDK2 (0.62) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4372831 0.92 CDK2 (0.64) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4374602 0.92 CDK2 (0.64) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4372817 0.92 FLT3 (0.68) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4381865 0.92 FLT3 (0.68) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4372064 0.92 FLT3 (0.68) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4373084 0.92 CDK2 (0.64) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL4381863 0.92 FLT3 (0.68) CDK2FLT3PDGFRASRCCCNE1

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-1377579-B1 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMA INC (US) 2009-03-25 EP claimed
US-6861524-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2005-03-01 US claimed
EP-1377579-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Aventis Pharmaceuticals Inc. (US) 2004-01-07 EP claimed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 US claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
EP-1377579-B1 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMA INC (US) 2009-03-25 EP disclosed
US-7429595-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2008-09-30 US disclosed
US-6861524-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2005-03-01 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-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 CDK2 167/4885FLT3 1260/4885PDGFRA 613/4885

“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.