SCHEMBL618653

SCHEMBL618653

CCC(NC(=O)c1cc2cccnc2nc1C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.49
SUCNR1 Q9BXA5 1/20 0.44
FAAH O00519 1/20 0.43
PDE2A O00408 2/20 0.43
KCNA5 P22460 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KLRK1 P26718 1/20 0.42
MICA Q29983 1/20 0.42
RAET1L Q5VY80 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSA P10619 2/20 0.41
MAPK1 P28482 1/20 0.41
DDR2 Q16832 1/20 0.40

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
SCHEMBL619596 0.87 SUCNR1 (0.48) SUCNR1PDE2ATRPM8KLRK1MICA
SCHEMBL619595 0.87 SUCNR1 (0.48) SUCNR1PDE2ATRPM8KLRK1MICA
SCHEMBL619912 0.87 SUCNR1 (0.48) SUCNR1PDE2ATRPM8KLRK1MICA
SCHEMBL5007659 0.78 TRPM8 (0.57) TRPM8HDAC1HDAC6HDAC5HDAC8
SCHEMBL617679 0.78 TRPM8 (0.38) SUCNR1PDE2ATRPM8KLRK1MICA
SCHEMBL247884 0.78 LMNA (0.52)
SCHEMBL619975 0.77 TRPV1 (0.48) ALDH1A1L3MBTL1
SCHEMBL13186488 0.76 SUCNR1 (0.44) SUCNR1TRPM8KLRK1MICARAET1L
SCHEMBL617629 0.75 PDE2A (0.42) KCNK3SUCNR1PDE2AKCNA5ALDH1A1
SCHEMBL617630 0.75 PDE2A (0.42) KCNK3SUCNR1PDE2AKCNA5ALDH1A1

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 KCNK3 302/4885SUCNR1 579/4885FAAH 190/4885

“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.