SCHEMBL251563

SCHEMBL251563

Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3C2B O00750 1/20 0.37
PIK3CG P48736 1/20 0.37
SUCNR1 Q9BXA5 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KLKB1 P03952 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL253791 1.00 MAPK1 (0.40) MAPK1HTTSMN1; SMN2NR3C1PIK3CD
SCHEMBL617678 0.88 HTT (0.41) MAPK1HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL253866 0.88 SUCNR1 (0.38) MAPK1SUCNR1KLKB1
SCHEMBL253868 0.84 MAPK1 (0.32) MAPK1HTTSMN1; SMN2KLKB1
SCHEMBL253867 0.84 MAPK1 (0.32) MAPK1HTTSMN1; SMN2KLKB1
SCHEMBL10232885 0.81 SMN1; SMN2 (0.48) HTTSMN1; SMN2NR3C1SUCNR1HCRTR1
SCHEMBL619738 0.81 HCRTR1 (0.52) HTTSMN1; SMN2NR3C1SUCNR1HCRTR1
SCHEMBL616887 0.80 CSF1R (0.47) HTTSMN1; SMN2HDAC6
SCHEMBL620104 0.79 NR3C1 (0.54) HTTSMN1; SMN2NR3C1SUCNR1POLB
SCHEMBL619617 0.78 HTT (0.45) HTTSMN1; SMN2NR3C1SUCNR1HCRTR1

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 14 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-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP 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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP 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 MAPK1 2346/4885HTT 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.