SCHEMBL618473

SCHEMBL618473

Cc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(C2=CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SUCNR1 Q9BXA5 6/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
OXGR1 Q96P68 1/20 0.38
CLK1 P49759 4/20 0.38
CNR2 P34972 1/20 0.38
MAPK8 P45983 1/20 0.37
PDE2A O00408 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
PSMB5 P28074 1/20 0.36

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
SCHEMBL618475 1.00 KCNK3 (0.41) KCNK3MAPK1ALDH1A1LMNASUCNR1
SCHEMBL10232822 0.85 MAPK1 (0.42) KCNK3MAPK1ALDH1A1LMNASUCNR1
SCHEMBL251862 0.81 PDE2A (0.50) ALDH1A1LMNAMAPK8PDE2A
SCHEMBL619018 0.81 PDE2A (0.50) ALDH1A1LMNAMAPK8PDE2A
SCHEMBL251861 0.81 PDE2A (0.50) ALDH1A1LMNAMAPK8PDE2A
SCHEMBL617279 0.81 SUCNR1 (0.44) MAPK1SUCNR1OXGR1CLK1CNR2
SCHEMBL617278 0.81 SUCNR1 (0.44) MAPK1SUCNR1OXGR1CLK1CNR2
SCHEMBL618479 0.81 CLK1 (0.53) MAPK1CYP2D6CLK1CNR2MAPK8
SCHEMBL619556 0.81 SUCNR1 (0.44) MAPK1SUCNR1OXGR1CLK1CNR2
SCHEMBL253866 0.80 SUCNR1 (0.38) KCNK3MAPK1SUCNR1

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 302/4885MAPK1 2346/4885ALDH1A1 468/4885

“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.