SCHEMBL617276

SCHEMBL617276

Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SUCNR1 Q9BXA5 5/20 0.47
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TACR1 P25103 2/20 0.43
BDKRB1 P46663 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 2/20 0.42
EPHX2 P34913 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL617436 0.91 PDPK1 (0.44) HTTSMN1; SMN2SUCNR1ALDH1A1MAPT
SCHEMBL617600 0.85 HTT (0.54) HTTSMN1; SMN2SUCNR1PPARAHPGD
SCHEMBL619639 0.85 HTT (0.56) HTTSMN1; SMN2SUCNR1ALDH1A1HPGD
SCHEMBL619738 0.84 HCRTR1 (0.52) HTTSMN1; SMN2SUCNR1GALR3NR2F2
SCHEMBL10232885 0.84 SMN1; SMN2 (0.48) HTTSMN1; SMN2SUCNR1HPGDHDAC6
SCHEMBL618421 0.84 MEN1 (0.50) HTTSMN1; SMN2HPGDEPHX2
SCHEMBL252287 0.83 STAMBP (0.51) HTTSUCNR1ALDH1A1MAPTHPGD
SCHEMBL620104 0.83 NR3C1 (0.54) HTTSMN1; SMN2SUCNR1HPGDLMNA
SCHEMBL10278163 0.82 EGLN1 (0.57) HTTSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL619854 0.82 HTT (0.52) HTTSMN1; SMN2SUCNR1HPGDGALR3

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.