SCHEMBL617401

SCHEMBL617401

Cc1nc2ncccc2cc1C(=O)NCc1ccc(NC(=O)c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.42
HDAC1 Q13547 1/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
RPS6KB1 P23443 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDR P35968 1/20 0.40
NTRK1 P04629 1/20 0.40
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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) HTTSMN1; SMN2HDAC6SUCNR1RPS6KB1
SCHEMBL620104 0.84 NR3C1 (0.54) HTTSMN1; SMN2SUCNR1RPS6KB1TRPV1
SCHEMBL617600 0.83 HTT (0.54) HTTSMN1; SMN2HDAC6SUCNR1HDAC1
SCHEMBL620473 0.83 PTGDR2 (0.47) HTTSMN1; SMN2HDAC6SUCNR1RPS6KB1
SCHEMBL619617 0.83 HTT (0.45) HTTSMN1; SMN2HDAC6SUCNR1RPS6KB1
SCHEMBL619681 0.82 KMT2A (0.48) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL620070 0.81 HTT (0.54) HTTSMN1; SMN2HDAC6HDAC1KMT2A
SCHEMBL617276 0.81 HTT (0.50) HTTSMN1; SMN2HDAC6SUCNR1ALDH1A1
SCHEMBL618882 0.81 PPARG (0.48) HTTSMN1; SMN2KMT2AMEN1RPS6KB1
SCHEMBL619554 0.80 HTT (0.43) HTTSMN1; SMN2HDAC6SUCNR1NR3C1

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 4137/4885HDAC6 959/4885

“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.