SCHEMBL617678

SCHEMBL617678

Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SUCNR1 Q9BXA5 5/20 0.40
NR3C1 P04150 2/20 0.39
MAPK1 P28482 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
POLB P06746 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
PPARG P37231 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HPGD P15428 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL253791 0.88 MAPK1 (0.40) HTTSMN1; SMN2SUCNR1NR3C1MAPK1
SCHEMBL251563 0.88 MAPK1 (0.40) HTTSMN1; SMN2SUCNR1NR3C1MAPK1
SCHEMBL253866 0.85 SUCNR1 (0.38) SUCNR1MAPK1
SCHEMBL10232885 0.83 SMN1; SMN2 (0.48) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL619738 0.83 HCRTR1 (0.52) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL619784 0.81 TRPV1 (0.53) HTTSMN1; SMN2SUCNR1NR3C1
SCHEMBL620104 0.81 NR3C1 (0.54) HTTSMN1; SMN2SUCNR1NR3C1POLB
SCHEMBL619617 0.80 HTT (0.45) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL620473 0.80 PTGDR2 (0.47) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL616887 0.78 CSF1R (0.47) HTTSMN1; SMN2HDAC6RPS6KB1

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 HTT 4219/4885SMN1; SMN2 4137/4885SUCNR1 579/4885

“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.