SCHEMBL4375080

SCHEMBL4375080

CC(C)n1cnc2c(NC3CCN(Cc4ccccc4)CC3)nc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.56
▸ CCNE2 O96020 19/20 0.56
▸ CCNA2 P20248 19/20 0.56
▸ CCNE1 P24864 19/20 0.56
▸ CCNA1 P78396 19/20 0.56
▸ CDK9 P50750 1/20 0.47

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
SCHEMBL4377640 1.00 CDK2 (0.56) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4372328 0.87 FLT3 (0.55) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4372495 0.87 FLT3 (0.55) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4374864 0.85 FLT3 (0.43) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4374861 0.85 FLT3 (0.43) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4372901 0.83 CDK2 (0.54) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4372906 0.83 CDK2 (0.54) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL4373952 0.80 CDK2 (0.49) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL30848442 0.79 CCNE2 (0.73) CDK2CCNE2CCNA2CCNE1CCNA1
SCHEMBL30848443 0.79 CCNE2 (0.73) CDK2CCNE2CCNA2CCNE1CCNA1

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 10 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 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
US-20040248908-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. 2004-12-09 — — US disclosed
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 disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 — — US disclosed
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 disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 — — US disclosed
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 disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 — — 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 (3 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 167/4885CCNE2 2100/4885CCNA2 233/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 CDK2 2629/4885CCNE2 4357/4885CCNA2 3888/4885
US-20040248908-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents TYMP, TK1, SLC29A1 CDK2 68/4885CCNE2 697/4885CCNA2 57/4885

“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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