SCHEMBL4459937

SCHEMBL4459937

Cc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
FABP4 P15090 1/20 0.52
DPP4 P27487 6/20 0.52
CYP3A4 P08684 1/20 0.52
DHODH Q02127 2/20 0.49
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.45
CNR1 P21554 3/20 0.45
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4460195 0.88 PLA2G2A (0.53) FABP3FABP4DPP4CYP3A4KDM4E
SCHEMBL8946384 0.87 KMT2A (0.56) FABP3FABP4DPP4CYP3A4DHODH
SCHEMBL4466647 0.80 ADORA3 (0.52) DPP4CYP3A4KDM4EALDH1A1GAA
SCHEMBL4470090 0.80 DPP4 (0.52) DPP4CYP3A4HSD11B1ALDH1A1CYP2C9
SCHEMBL4459157 0.80 DPP4 (0.61) DPP4CYP3A4CYP2C9
SCHEMBL4465818 0.79 CDC7 (0.50) DPP4CYP3A4KDM4EALDH1A1GAA
SCHEMBL4471810 0.78 DPP4 (0.76) DPP4CYP3A4CYP2C9
SCHEMBL4464555 0.77 DPP4 (0.49) DPP4CYP3A4CNR1HSD11B1ALDH1A1
SCHEMBL4464558 0.77 DPP4 (0.49) DPP4CYP3A4CNR1HSD11B1ALDH1A1
SCHEMBL8946570 0.76 CRHBP (0.62) DPP4CYP3A4KMT2ACNR1ALDH1A1

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 5 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
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

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 FABP3 2546/4885FABP4 1651/4885DPP4 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.