SCHEMBL619738

SCHEMBL619738

Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.52
HCRTR2 O43614 9/20 0.52
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 1/20 0.43
CFTR P13569 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
SORT1 Q99523 1/20 0.41
NR3C1 P04150 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
KMT2A Q03164 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
SCHEMBL10232885 0.86 SMN1; SMN2 (0.48) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1
SCHEMBL619835 0.85 HTT (0.49) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1
SCHEMBL617436 0.85 PDPK1 (0.44) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1
SCHEMBL619180 0.84 HCRTR1 (0.44) HCRTR1HCRTR2HTTSMN1; SMN2SORT1
SCHEMBL617276 0.84 HTT (0.50) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1
SCHEMBL620104 0.84 NR3C1 (0.54) HTTSMN1; SMN2SUCNR1NR3C1
SCHEMBL619890 0.84 KLKB1 (0.52) HCRTR1HCRTR2HTTSUCNR1KMT2A
SCHEMBL617678 0.83 HTT (0.41) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1
SCHEMBL619617 0.83 HTT (0.45) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1
SCHEMBL620473 0.83 PTGDR2 (0.47) HCRTR1HCRTR2HTTSMN1; SMN2SUCNR1

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 12 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
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
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 HCRTR1 717/4885HCRTR2 609/4885HTT 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.