SCHEMBL3371543

SCHEMBL3371543

N#Cc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)nc1N

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.89
ADORA2A P29274 5/20 0.89
IL4 P05112 1/20 0.77
ALDH1A1 P00352 4/20 0.73
HPGD P15428 4/20 0.73
KDM4E B2RXH2 4/20 0.73
GAA P10253 3/20 0.73
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
MAPT P10636 3/20 0.69
GLA P06280 2/20 0.69
PSMD14 O00487 1/20 0.69
USP2 O75604 1/20 0.69
TSHR P16473 1/20 0.69
CASP1 P29466 1/20 0.69
CASP7 P55210 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
PKM P14618 2/20 0.67
ATM Q13315 2/20 0.67

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
SCHEMBL22215854 0.94 ADORA1 (1.00) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL31139632 0.93 ADORA1 (0.78) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL23833503 0.87 IL4 (1.00) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL23833502 0.87 IL4 (1.00) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL23841107 0.84 KDM4E (0.82) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL31120418 0.84 ADORA1 (0.89) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL28687495 0.84 MAPK14 (0.77) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL31695312 0.83 ADORA1 (0.72) ADORA1ADORA2AIL4ALDH1A1HPGD
SCHEMBL31120336 0.83 ADORA1 (1.00) ADORA1ADORA2AALDH1A1HPGDKDM4E
SCHEMBL4911494 0.83 ADORA1 (1.00) ADORA1ADORA2AALDH1A1HPGDKDM4E

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 794/4885IL4 215/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK ADORA1 207/4885ADORA2A 547/4885IL4 406/4885

“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.