SCHEMBL616602

SCHEMBL616602

Cc1nc2ncccc2cc1C(=O)NC(C)c1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.43
SUCNR1 Q9BXA5 6/20 0.40
CNR2 P34972 1/20 0.40
MAPK8 P45983 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
KCNK3 O14649 1/20 0.36
POLB P06746 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
SCHEMBL14845782 0.88 PDE2A (0.44) PDE2ASUCNR1CNR2MAPK8
SCHEMBL616899 0.82 PDE2A (0.49) PDE2ASUCNR1MAPK8POLB
SCHEMBL616898 0.82 PDE2A (0.49) PDE2ASUCNR1MAPK8POLB
SCHEMBL251861 0.81 PDE2A (0.50) PDE2AMAPK8POLB
SCHEMBL251862 0.81 PDE2A (0.50) PDE2AMAPK8POLB
SCHEMBL619018 0.81 PDE2A (0.50) PDE2AMAPK8POLB
SCHEMBL619912 0.79 SUCNR1 (0.48) PDE2ASUCNR1POLB
SCHEMBL619595 0.79 SUCNR1 (0.48) PDE2ASUCNR1POLB
SCHEMBL619596 0.79 SUCNR1 (0.48) PDE2ASUCNR1POLB
SCHEMBL617278 0.77 SUCNR1 (0.44) PDE2ASUCNR1CNR2

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 11 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-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 PDE2A 31/4885SUCNR1 579/4885CNR2 127/4885

“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.