SCHEMBL4460031

SCHEMBL4460031

Cc1ccc(-c2nc(C)ncc2CN)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
HSP90AB1 P08238 3/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
CRHR1 P34998 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL7934912 0.86 PDE10A (0.39) PDE10AHSP90AB1FGFR1FGFR2LMNA
SCHEMBL4476056 0.81 DPP4 (0.45) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL4470076 0.68 DPP4 (0.48) LMNAMAPTALDH1A1SMN1; SMN2CRHR1
SCHEMBL3820130 0.68 DPP4 (0.46) TAAR1ALDH1A1PTGDR2
SCHEMBL18356854 0.68 CNR2 (0.44) HSP90AB1LMNAMAPTNPC1RAB9A
SCHEMBL20808390 0.67 PDE10A (0.40) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL14677401 0.67 LMNA (0.46) LMNAKDM4EALDH1A1
SCHEMBL11438697 0.67 DRD1 (0.39) HSP90AB1FGFR1FGFR2MAPTKDM4E
SCHEMBL96044 0.66 TAAR1 (0.50) TAAR1LMNAMAPTKDM4EALDH1A1
SCHEMBL29818192 0.66 TAAR1 (0.50) TAAR1LMNAMAPTKDM4EALDH1A1

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 PDE10A 2443/4885HSP90AB1 1991/4885FGFR1 1642/4885

“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.