SCHEMBL249932

SCHEMBL249932

Cc1nc2ncccc2cc1C(=O)NCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.58
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 9/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
HSD17B10 Q99714 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GLA P06280 2/20 0.51
GAA P10253 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL10278163 0.86 EGLN1 (0.57) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL254150 0.83 MAPK1 (0.55) HPGDHSD17B10LMNAHTTSMN1; SMN2
SCHEMBL618863 0.82 NPC1 (0.56) HPGDKDM4ERAB9ANPC1
SCHEMBL619639 0.82 HTT (0.56) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL249434 0.82 SORT1 (0.59) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL618734 0.81 EGLN1 (0.60) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL616709 0.81 SMN1; SMN2 (0.54) HPGDKDM4EHSD17B10LMNAHTT
SCHEMBL10278377 0.81 SMN1; SMN2 (0.45) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL619017 0.81 HTT (0.69) HPGDRAB9ALMNAHTTSMN1; SMN2
SCHEMBL620070 0.81 HTT (0.54) HPGDKDM4ELMNAHTTSMN1; SMN2

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 HPGD 151/4885ALDH1A1 468/4885KDM4E 3377/4885

“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.