SCHEMBL3369385

SCHEMBL3369385

N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccccc2)nc1N

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.78
ADORA2A P29274 10/20 0.78
DPP4 P27487 1/20 0.63
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 2/20 0.59
PIM1 P11309 1/20 0.59
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
ADORA2B P29275 1/20 0.56
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
MAPK14 Q16539 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52

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
SCHEMBL3368776 0.85 ADORA1 (1.00) ADORA1ADORA2AKMT2AL3MBTL1MEN1
SCHEMBL31120396 0.85 ADORA1 (1.00) ADORA1ADORA2AKMT2AL3MBTL1MEN1
SCHEMBL31120337 0.85 ADORA1 (1.00) ADORA1ADORA2AKMT2AL3MBTL1MEN1
SCHEMBL22208216 0.82 SQOR (0.75) ADORA1ADORA2ADPP4KMT2AL3MBTL1
SCHEMBL29442388 0.82 SQOR (0.75) ADORA1ADORA2ADPP4KMT2AL3MBTL1
SCHEMBL31120336 0.81 ADORA1 (1.00) ADORA1ADORA2AKMT2AL3MBTL1MEN1
SCHEMBL4911494 0.81 ADORA1 (1.00) ADORA1ADORA2AKMT2AL3MBTL1MEN1
SCHEMBL3372730 0.80 DPP4 (0.65) ADORA1ADORA2ADPP4ADORA2BGSK3A
SCHEMBL31120418 0.79 ADORA1 (0.89) ADORA1ADORA2AKMT2AL3MBTL1MEN1
SCHEMBL3370683 0.78 KDM4E (0.59) ADORA1ADORA2AKMT2AMEN1KDM4E

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 8 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
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

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 ADORA1 134/4885ADORA2A 794/4885DPP4 1/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK ADORA1 207/4885ADORA2A 547/4885DPP4 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.