SCHEMBL6533720

SCHEMBL6533720

C=CCc1nc(Cl)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
CDK2 P24941 3/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNA2 P20248 2/20 0.42
CCNA1 P78396 2/20 0.42
MGMT P16455 1/20 0.42
POLA1 P09884 1/20 0.38
XDH P47989 1/20 0.37
PDPK1 O15530 1/20 0.35
GDA Q9Y2T3 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
MAP3K5 Q99683 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL325149 0.81 PDPK1 (0.54) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL29559859 0.81 PDPK1 (0.54) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL5576430 0.81 CDK2 (0.42) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL7293081 0.78 DPP4 (0.56) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL490903 0.77 CDK2 (0.47) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL6533714 0.74
SCHEMBL29853238 0.74 DPP4 (0.51) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL8588220 0.74 DPP4 (0.47) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL10428052 0.72 DPP4 (0.57) DPP4CDK2CDK1CCNB1CCNA2
SCHEMBL7359078 0.72 HRH4 (0.43) PDPK1ADORA3MAP3K5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
US-20040259833-A1 DNA methyl transferase inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-12-23 US disclosed
EP-1420021-A1 DNA Methyltransferase inhibitors The Penn State Research Foundation (US) 2004-05-19 EP disclosed
CN-1370170-A DNA methyltransferase inhibitors PENN STATE RES FOUND (US) 2002-09-18 CN 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 (2 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-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT DPP4 2447/4885CDK2 3167/4885CDK1 3219/4885
US-20040259833-A1 DNA methyl transferase inhibitors DNMT1, DNMT3A, DIMT1 DPP4 1033/4885CDK2 1385/4885CDK1 1591/4885

“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.