SCHEMBL249434

SCHEMBL249434

O=C(NCc1ccccn1)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.59
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 5/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
GLA P06280 2/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL249051 0.84 CNR2 (0.54) SORT1HTTGLASMN1; SMN2
SCHEMBL619508 0.83 GLA (0.60) LMNAHTTGLASMN1; SMN2KMT2A
SCHEMBL249932 0.82 HPGD (0.58) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL247656 0.82 LMNA (0.54) SORT1HPGDLMNAKMT2A
SCHEMBL11909549 0.82 LMNA (0.50) ALDH1A1KDM4ELMNAGLAPKM
SCHEMBL6361138 0.81 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ANPC1GLA
SCHEMBL619558 0.81 CNR2 (0.61) HPGDNPC1LMNAKMT2A
SCHEMBL3433408 0.77 MGLL (0.43) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL125418 0.76 KDM4E (0.47) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL27660016 0.75 HPGD (0.64) SORT1ALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP claimed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US claimed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US claimed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO claimed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 SORT1 4774/4885ALDH1A1 468/4885HPGD 151/4885

“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.