SCHEMBL3369655

SCHEMBL3369655

CNc1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
DPP4 P27487 3/20 0.50
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPY5R Q15761 1/20 0.45
GAA P10253 1/20 0.44
PDE5A O76074 4/20 0.43
DYRK1A Q13627 1/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL3367077 0.87 RXFP1 (0.69) RXFP1DPP4KMT2AKDM4EMEN1
SCHEMBL3369649 0.83 DPP4 (0.54) RXFP1DPP4KMT2AKDM4EMEN1
SCHEMBL3369287 0.78 DPP4 (0.61) RXFP1DPP4KMT2AKDM4EMEN1
SCHEMBL14475100 0.74 CYP1A2 (0.65) RXFP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL14475876 0.74 CYP1A2 (0.65) RXFP1ALDH1A1MAPK1CYP3A4CYP2C19
SCHEMBL16184266 0.71 CYP1A2 (0.52) RXFP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL16184397 0.71 CYP1A2 (0.52) RXFP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3372299 0.70 RXFP1 (1.00) RXFP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL16184287 0.70 CYP3A4 (0.51) RXFP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL16184385 0.70 CYP3A4 (0.51) RXFP1KMT2AKDM4EMEN1ALDH1A1

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 20 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 claimed
CN-1324015-C Pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN claimed
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN claimed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US claimed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP claimed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO claimed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US claimed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO claimed
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
CN-1324015-C Pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN 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
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP 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
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 WO 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 RXFP1 160/4885DPP4 1/4885KMT2A 3893/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK RXFP1 439/4885DPP4 1/4885KMT2A 3650/4885

“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.