SCHEMBL4460195

SCHEMBL4460195

COC(=O)c1c(C)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.53
CNR1 P21554 5/20 0.48
DPP4 P27487 5/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
ALPL P05186 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4459937 0.88 FABP3 (0.52) CNR1DPP4CYP3A4SMN1; SMN2MEN1
SCHEMBL4466647 0.81 ADORA3 (0.52) DPP4CYP3A4SMN1; SMN2KDM4ETP53
SCHEMBL4465818 0.80 CDC7 (0.50) DPP4CYP3A4SMN1; SMN2KDM4ETP53
SCHEMBL10375348 0.79 KMT2A (0.43) PLA2G2ACYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL4468991 0.79 CNR1 (0.48) PLA2G2ACNR1SMN1; SMN2KMT2AKDM4E
SCHEMBL4462420 0.79 CCNA2 (0.52) PLA2G2ACNR1MEN1KMT2ATP53
SCHEMBL5511035 0.78 SMN1; SMN2 (0.61) PLA2G2ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8946850 0.77 KDM4E (0.62) SMN1; SMN2MEN1KMT2AKDM4ETP53
SCHEMBL4470090 0.76 DPP4 (0.52) DPP4CYP3A4SMN1; SMN2TP53RAB9A
SCHEMBL4459157 0.76 DPP4 (0.61) DPP4CYP3A4

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-1831180-B1 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
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 PLA2G2A 4582/4885CNR1 4558/4885DPP4 1/4885

“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.