SCHEMBL4464154

SCHEMBL4464154

COC(=O)c1c(C)nc(N2CCSCC2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
ALPL P05186 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 6/20 0.38
BCHE P06276 5/20 0.38
CNR1 P21554 4/20 0.38
PLA2G2A P14555 1/20 0.37
CNR2 P34972 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37

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
SCHEMBL1407673 0.81 DPP4 (0.66) DPP4ALPLCNR1CNR2
SCHEMBL4460103 0.77 DPP4 (0.66) DPP4
SCHEMBL4460195 0.73 PLA2G2A (0.53) DPP4ALPLKDM4ECNR1PLA2G2A
SCHEMBL4462420 0.69 CCNA2 (0.52) MAPTCNR1PLA2G2A
SCHEMBL4468991 0.69 CNR1 (0.48) KDM4EMAPTCNR1PLA2G2A
SCHEMBL21981605 0.69 DPP4 (0.51) DPP4ALPLSLC6A3KDM4EMAPT
SCHEMBL2706201 0.67 DPP4 (0.64) DPP4
SCHEMBL28435242 0.67 MAPT (0.52) DPP4ALPLKDM4EMAPTCNR1
SCHEMBL4410442 0.66 DPP4 (0.63) DPP4ALPLSLC6A3PLA2G2A
SCHEMBL1407325 0.65 DPP4 (0.59) DPP4ALPLPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831180-B1 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
EP-1831180-A2 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-12 EP disclosed
WO-2006071762-A2 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 US disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 US disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 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-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 DPP4 1/4885ALPL 1321/4885SLC6A3 1478/4885

“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.