SCHEMBL1931410

SCHEMBL1931410

COc1cccc(C(=O)Nc2nc(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ JAK2 O60674 1/20 0.41

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
SCHEMBL1930678 0.87 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL1932569 0.86 KMT2A (0.46) ALDH1A1NPC1MAPTMAPK1RAB9A
SCHEMBL1931390 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL1931650 0.84 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL1932041 0.83 RORC (0.41) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3605138 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1NPC1
SCHEMBL1931173 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL1931559 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTDP1NPC1
SCHEMBL1931663 0.79 MAPK1 (0.43) ALDH1A1CYP3A4TSHRTDP1NPC1
SCHEMBL1930756 0.79 RORC (0.45) ALDH1A1NPC1MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633216-B2 Imidazo[1,5-a]pyridine derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI (FR) 2014-01-21 — — US disclosed
EP-1861403-B1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SA (FR) 2012-05-02 — — EP disclosed
US-8008321-B2 Imidazo[1,5-a]pyridin-3-yl)(3-methoxy-4-nitrophenyl)methanone; a and b fibroblast growth factor receptors (FGFR) antagonist; anticarcinogenic, antitumor: lung, breast, prostate, melanomas, gliomas; antiinflammatory, vascular smooth muscle cells: atherosclerosis, restenosis, stent and bypass complications SANOFI-AVENTIS (FR) 2011-08-30 — — US disclosed
US-20110136856-A1 Novel imidazo[1,5-a]pyridine derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2011-06-09 — — US disclosed
US-20080108648-A1 Novel imidazo[1,5-a] pyridine derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-05-08 — — US disclosed
EP-1861403-A1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2007-12-05 — — EP disclosed
WO-2006097625-A1 NOVEL IMIDAZO[1,5-A]PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2006-09-21 — — 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-20080108648-A1 Novel imidazo[1,5-a] pyridine derivatives, method for preparing same and pharmaceutical compositions containing same CYP3A5, CYP4B1, CYP3A7 ALDH1A1 238/4885CYP3A4 4/4885TSHR 2483/4885
US-20110136856-A1 Novel imidazo[1,5-a]pyridine derivatives, method for preparing same and pharmaceutical compositions containing same P2RX6, IL5, ATIC ALDH1A1 711/4885CYP3A4 179/4885TSHR 1824/4885

“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.

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