SCHEMBL4464558

SCHEMBL4464558

Cc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1C=NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.49
CYP3A4 P08684 2/20 0.49
HSD11B1 P28845 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CRHR1 P34998 1/20 0.38
CNR1 P21554 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4464555 1.00 DPP4 (0.49) DPP4CYP3A4HSD11B1NPSR1LMNA
SCHEMBL4470090 0.84 DPP4 (0.52) DPP4CYP3A4HSD11B1NPSR1LMNA
SCHEMBL4459157 0.77 DPP4 (0.61) DPP4CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4459937 0.77 FABP3 (0.52) DPP4CYP3A4HSD11B1CYP2C9PKM
SCHEMBL4471810 0.75 DPP4 (0.76) DPP4CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4460195 0.74 PLA2G2A (0.53) DPP4CYP3A4LMNASMN1; SMN2TP53
SCHEMBL4479285 0.71 L3MBTL1 (0.45) CYP3A4NPSR1LMNACYP1A2CYP2C9
SCHEMBL4479290 0.71 L3MBTL1 (0.45) CYP3A4NPSR1LMNACYP1A2CYP2C9
SCHEMBL4475821 0.69 DPP4 (0.83) DPP4CYP3A4
SCHEMBL4466647 0.68 ADORA3 (0.52) DPP4CYP3A4NPSR1LMNACYP1A2

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 7 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
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

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 1/4885CYP3A4 220/4885HSD11B1 1535/4885

“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.