SCHEMBL4371963

SCHEMBL4371963

N[C@H]1CC[C@H](Nc2nc(NC3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.61
CDK2 P24941 11/20 0.60
CCNE1 P24864 8/20 0.60
PDGFRA P16234 7/20 0.60
CDK1 P06493 6/20 0.58
CCNB2 O95067 4/20 0.56
CCNE2 O96020 4/20 0.56
CDK4 P11802 4/20 0.56
CCNB1 P14635 4/20 0.56
CCND1 P24385 4/20 0.56
CCNB3 Q8WWL7 4/20 0.56
SRC P12931 4/20 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
SCHEMBL4371960 1.00 FLT3 (0.61) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4381615 0.92 FLT3 (0.60) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4381613 0.92 FLT3 (0.60) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4381865 0.92 FLT3 (0.68) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4381863 0.92 FLT3 (0.68) FLT3CDK2CCNE1PDGFRACDK1
Hydrochloric Acid SCHEMBL4383283 0.91 FLT3 (0.59) FLT3CDK2CCNE1PDGFRACDK1
Hydrochloric Acid SCHEMBL4383286 0.91 FLT3 (0.59) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4370167 0.90 CDK2 (0.62) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4370166 0.90 CDK2 (0.62) FLT3CDK2CCNE1PDGFRACDK1
SCHEMBL4374509 0.88 CDK2 (0.64) FLT3CDK2CCNE1PDGFRACDK1

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 FLT3 1260/4885CDK2 167/4885CCNE1 1465/4885

“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.