SCHEMBL3368098

SCHEMBL3368098

Cc1cccc(-c2nc(N)c(C#N)c(-c3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.68
ADORA1 P30542 4/20 0.50
ADORA2A P29274 3/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA2B P29275 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PPARG P37231 1/20 0.44
STAT3 P40763 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL6871446 0.87 DPP4 (0.66) DPP4ADORA1ADORA2ACYP3A4ALDH1A1
SCHEMBL3372730 0.87 DPP4 (0.65) DPP4ADORA1ADORA2ACYP3A4GSK3A
SCHEMBL3372051 0.86 DPP4 (0.70) DPP4ADORA1ADORA2ACYP3A4ALDH1A1
SCHEMBL6871445 0.82 DPP4 (0.67) DPP4ADORA1ADORA2ACYP3A4ALDH1A1
SCHEMBL3369005 0.81 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3369377 0.78 ADORA2A (0.74) DPP4ADORA1ADORA2AALDH1A1HPGD
SCHEMBL3372610 0.78 GSK3A (0.55) DPP4ADORA1ADORA2ACYP3A4ALDH1A1
SCHEMBL3370683 0.74 KDM4E (0.59) ADORA1ADORA2AALDH1A1HPGDMEN1
SCHEMBL3368680 0.71 DPP4 (1.00) DPP4CYP3A4
SCHEMBL10703217 0.70 DPP4 (0.52) DPP4ALDH1A1HPGDHSD17B10NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 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 (2 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 DPP4 1/4885ADORA1 134/4885ADORA2A 794/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK DPP4 1/4885ADORA1 207/4885ADORA2A 547/4885

“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.