SCHEMBL617600

SCHEMBL617600

Cc1nc2ncccc2cc1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC6 Q9UBN7 1/20 0.50
SORT1 Q99523 3/20 0.49
SUCNR1 Q9BXA5 1/20 0.48
PSMD14 O00487 1/20 0.48
STAMBP O95630 1/20 0.48
HPGD P15428 2/20 0.47
PDPK1 O15530 1/20 0.46
KDM1A O60341 2/20 0.45
HDAC1 Q13547 2/20 0.45
LSS P48449 1/20 0.45
PPARA Q07869 2/20 0.44
P2RX7 Q99572 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL616636 0.91 TACR1 (0.53) HTTSMN1; SMN2HDAC6SORT1TACR1
SCHEMBL253788 0.90 HTT (0.52) HTTSMN1; SMN2HDAC6SUCNR1HPGD
SCHEMBL31018193 0.90 HTT (0.52) HTTSMN1; SMN2HDAC6SUCNR1HPGD
SCHEMBL247884 0.89 LMNA (0.52) HTTSMN1; SMN2SORT1HPGD
SCHEMBL619017 0.88 HTT (0.69) HTTSMN1; SMN2HPGD
SCHEMBL254150 0.88 MAPK1 (0.55) HTTSMN1; SMN2PSMD14STAMBPHPGD
SCHEMBL10232885 0.86 SMN1; SMN2 (0.48) HTTSMN1; SMN2HDAC6SUCNR1HPGD
SCHEMBL10278163 0.86 EGLN1 (0.57) HTTSMN1; SMN2HPGD
SCHEMBL619854 0.86 HTT (0.52) HTTSMN1; SMN2SUCNR1HPGD
SCHEMBL616709 0.85 SMN1; SMN2 (0.54) HTTSMN1; SMN2HDAC6HPGDPDPK1

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
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-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 4137/4885HDAC6 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.