SCHEMBL4468878

SCHEMBL4468878

CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.55
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
XBP1 P17861 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRM6 O15303 1/20 0.45
GUSB P08236 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL7216561 0.83 ADORA3 (0.60) CSF1RTSHRHSD17B10USP2MAPK1
SCHEMBL4466647 0.81 ADORA3 (0.52) CSF1RCDC7DBF4GABRA2GABRB2
SCHEMBL4465818 0.80 CDC7 (0.50) CSF1RCDC7DBF4GABRA2GABRB2
SCHEMBL8026733 0.76 SIRT2 (0.56) CSF1RGABRA2GABRB2TSHRHSD17B10
SCHEMBL29889974 0.75 NPY5R (0.50) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL2943488 0.75 NPY5R (0.50) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL1250865 0.74 CDC7 (0.58) CDC7DBF4GABRA2GABRB2TSHR
SCHEMBL8036853 0.74 SIRT2 (0.54) CSF1RGABRA2GABRB2TSHRHSD17B10
SCHEMBL8022429 0.72 SIRT2 (0.52) CSF1RGABRA2GABRB2TSHRHSD17B10
SCHEMBL8762855 0.72 HSD17B10 (0.52) CSF1RTSHRHSD17B10USP2MAPK1

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 CSF1R 4104/4885CDC7 1848/4885DBF4 362/4885

“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.