SCHEMBL617214

SCHEMBL617214

Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCCN(C)C)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
LIPG Q9Y5X9 1/20 0.41
NR3C1 P04150 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
ROCK2 O75116 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.39
MAPK1 P28482 1/20 0.39
RAF1 P04049 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL619554 0.85 HTT (0.43) SMN1; SMN2HTTNR3C1LMNASUCNR1
SCHEMBL619617 0.84 HTT (0.45) SMN1; SMN2HTTNR3C1LMNASUCNR1
SCHEMBL619180 0.84 HCRTR1 (0.44) SMN1; SMN2HTTLMNACYP2C19MAPK1
SCHEMBL10232885 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HTTNR3C1LMNASUCNR1
SCHEMBL620104 0.82 NR3C1 (0.54) SMN1; SMN2HTTNR3C1LMNAROCK2
SCHEMBL620473 0.81 PTGDR2 (0.47) SMN1; SMN2HTTNR3C1SUCNR1HCRTR1
SCHEMBL253733 0.80 SYK (0.45) SMN1; SMN2HTTLMNASUCNR1SYK
SCHEMBL617600 0.79 HTT (0.54) SMN1; SMN2HTTSUCNR1HDAC6
SCHEMBL619738 0.78 HCRTR1 (0.52) SMN1; SMN2HTTNR3C1SUCNR1HCRTR1
SCHEMBL617401 0.78 HTT (0.46) SMN1; SMN2HTTNR3C1SUCNR1HCRTR1

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 SMN1; SMN2 4137/4885HTT 4219/4885LIPG 2758/4885

“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.