SCHEMBL3786758

SCHEMBL3786758

Nc1ccc(-c2ccc([N+](=O)[O-])c(N)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 1/20 0.41
DHFR P00374 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
PIK3CD O00329 2/20 0.39
POLB P06746 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PSMD14 O00487 1/20 0.38
PRKACA P17612 1/20 0.38
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL28794566 0.79 MEN1 (0.41) MAPTDHFRMEN1KMT2ATDP1
SCHEMBL18376192 0.79 TDP1 (0.43) MAPTMEN1KMT2ATDP1POLB
SCHEMBL1463866 0.79 MAPK1 (0.43) MAPTLMNADHFRMEN1KMT2A
SCHEMBL29745037 0.79 MEN1 (0.41) MAPTDHFRMEN1KMT2ATDP1
SCHEMBL3790681 0.79 DYRK1A (0.53) MAPTLMNADHFRMEN1KMT2A
SCHEMBL4059206 0.79 MEN1 (0.52) MAPTMEN1KMT2ATDP1PSMD14
SCHEMBL3789449 0.78 MAP2K3 (0.44) MAPTMEN1KMT2ATDP1POLB
SCHEMBL18149077 0.77 MEN1 (0.36) MAPTLMNADHFRMEN1KMT2A
SCHEMBL671296 0.77 TDP1 (0.45) MAPTDHFRMEN1KMT2ATDP1
SCHEMBL29391396 0.77 TDP1 (0.45) MAPTDHFRMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 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 (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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4625/4885LMNA 3197/4885DHFR 866/4885

“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.