SCHEMBL620473

SCHEMBL620473

Cc1nc2ncccc2cc1C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SUCNR1 Q9BXA5 5/20 0.44
ELANE P08246 4/20 0.42
NR3C1 P04150 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PTGES O14684 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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 0.88 SMN1; SMN2 (0.48) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL620104 0.87 NR3C1 (0.54) HTTSMN1; SMN2SUCNR1NR3C1POLB
SCHEMBL619617 0.85 HTT (0.45) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL617600 0.83 HTT (0.54) HTTSMN1; SMN2SUCNR1HDAC6HPGD
SCHEMBL619560 0.83 HTT (0.51) HTTSMN1; SMN2ELANEHPGD
SCHEMBL619681 0.83 KMT2A (0.48) HTTSMN1; SMN2POLBHPGD
SCHEMBL619554 0.83 HTT (0.43) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL617401 0.83 HTT (0.46) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL619738 0.83 HCRTR1 (0.52) HTTSMN1; SMN2SUCNR1NR3C1HCRTR1
SCHEMBL247884 0.81 LMNA (0.52) HTTSMN1; SMN2HPGD

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 PTGDR2 145/4885HTT 4219/4885SMN1; SMN2 4137/4885

“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.