SCHEMBL619835

SCHEMBL619835

Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HCRTR1 O43613 4/20 0.48
HCRTR2 O43614 4/20 0.48
KLKB1 P03952 4/20 0.48
KLK1 P06870 4/20 0.48
CHRM4 P08173 1/20 0.48
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
SUCNR1 Q9BXA5 3/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP1 O94782 1/20 0.45
WDR48 Q8TAF3 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL619639 0.91 HTT (0.56) HTTSMN1; SMN2KLKB1KLK1GALR3
SCHEMBL619890 0.91 KLKB1 (0.52) HTTHCRTR1HCRTR2KLKB1KLK1
SCHEMBL619854 0.90 HTT (0.52) HTTSMN1; SMN2KLKB1KLK1GALR3
SCHEMBL254150 0.86 MAPK1 (0.55) HTTSMN1; SMN2LMNAHPGD
SCHEMBL616897 0.85 EGLN1 (0.60) HTTSMN1; SMN2HCRTR1HCRTR2SUCNR1
SCHEMBL619738 0.85 HCRTR1 (0.52) HTTSMN1; SMN2HCRTR1HCRTR2GALR3
SCHEMBL10278163 0.84 EGLN1 (0.57) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL618734 0.84 EGLN1 (0.60) HTTSMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL616709 0.84 SMN1; SMN2 (0.54) HTTSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL619017 0.84 HTT (0.69) HTTSMN1; SMN2LMNAHPGDKMT2A

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 10 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-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

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 HTT 4219/4885SMN1; SMN2 4137/4885HCRTR1 717/4885

“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.