SCHEMBL619376

SCHEMBL619376

Cc1nc2ncccc2cc1C(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
SUCNR1 Q9BXA5 2/20 0.48
NSD2 O96028 1/20 0.47
CHRM4 P08173 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
AOC3 Q16853 2/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL620170 0.94 KLK1 (0.51) SMN1; SMN2HTTSUCNR1KLKB1KLK1
SCHEMBL619639 0.91 HTT (0.56) SMN1; SMN2HTTEGLN1SUCNR1NSD2
SCHEMBL10278163 0.91 EGLN1 (0.57) SMN1; SMN2HTTEGLN1NSD2MEN1
SCHEMBL619890 0.91 KLKB1 (0.52) HTTSUCNR1KLKB1KLK1HCRTR1
SCHEMBL618560 0.90 EGLN1 (0.51) SMN1; SMN2EGLN1SUCNR1MEN1HCRTR1
SCHEMBL10232805 0.90 HTT (0.45) SMN1; SMN2HTTEGLN1SUCNR1NSD2
SCHEMBL617421 0.86 KMT2A (0.55) SMN1; SMN2HTTEGLN1MEN1HCRTR1
SCHEMBL617738 0.86 MAPT (0.52) SMN1; SMN2HTTEGLN1NSD2CHRM4
SCHEMBL617436 0.85 PDPK1 (0.44) SMN1; SMN2HTTSUCNR1KLKB1MEN1
SCHEMBL618882 0.85 PPARG (0.48) SMN1; SMN2HTTEGLN1NSD2KLKB1

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 LIPG 2758/4885SMN1; SMN2 4137/4885HTT 4219/4885

“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.