SCHEMBL616636

SCHEMBL616636

Cc1nc2ncccc2cc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.53
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RX1 P51575 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
MLYCD O95822 1/20 0.46
SORT1 Q99523 1/20 0.43
MAOB P27338 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL247884 0.92 LMNA (0.52) HTTSMN1; SMN2MLYCDSORT1
SCHEMBL617600 0.91 HTT (0.54) TACR1HTTSMN1; SMN2SORT1HDAC6
SCHEMBL10232885 0.84 SMN1; SMN2 (0.48) HTTSMN1; SMN2EGLN1HDAC6
SCHEMBL10278163 0.84 EGLN1 (0.57) HTTSMN1; SMN2MAOBEGLN1
SCHEMBL31018193 0.83 HTT (0.52) HTTSMN1; SMN2EGLN1HDAC6
SCHEMBL253788 0.83 HTT (0.52) HTTSMN1; SMN2EGLN1HDAC6
SCHEMBL619975 0.83 TRPV1 (0.48) HTTEGLN1
SCHEMBL619017 0.83 HTT (0.69) HTTSMN1; SMN2
SCHEMBL254150 0.83 MAPK1 (0.55) HTTSMN1; SMN2EGLN1
SCHEMBL620104 0.83 NR3C1 (0.54) HTTSMN1; SMN2EGLN1

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 TACR1 1072/4885HTT 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.