SCHEMBL616897

SCHEMBL616897

COc1ccc(-c2ccc(CNC(=O)c3cc4cccnc4nc3C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 1/20 0.56
POLB P06746 2/20 0.53
CLK1 P49759 1/20 0.52
CLK2 P49760 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
SUCNR1 Q9BXA5 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 2/20 0.49

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
SCHEMBL618560 0.92 EGLN1 (0.51) EGLN1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL619639 0.89 HTT (0.56) EGLN1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL619854 0.88 HTT (0.52) EGLN1SMN1; SMN2HPGDDYRK1ACLK4
SCHEMBL617423 0.86 KMT2A (0.62) EGLN1LMNAHPGDPOLBCLK4
SCHEMBL619835 0.85 HTT (0.49) SMN1; SMN2LMNAHPGDKMT2AHCRTR1
SCHEMBL10278163 0.84 EGLN1 (0.57) EGLN1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL618734 0.84 EGLN1 (0.60) EGLN1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL619017 0.84 HTT (0.69) SMN1; SMN2LMNAHPGDRAB9AMEN1
SCHEMBL616709 0.84 SMN1; SMN2 (0.54) EGLN1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL254150 0.83 MAPK1 (0.55) EGLN1SMN1; SMN2LMNAHPGDPOLB

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 EGLN1 1015/4885SMN1; SMN2 4137/4885LMNA 4429/4885

“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.