SCHEMBL616899

SCHEMBL616899

Cc1nc2ncccc2cc1C(=O)NC(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.49
NR1H4 Q96RI1 1/20 0.47
SUCNR1 Q9BXA5 5/20 0.45
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL616898 1.00 PDE2A (0.49) PDE2ANR1H4SUCNR1TRPV1MEN1
SCHEMBL251861 0.87 PDE2A (0.50) PDE2ATRPV1MEN1LMNAKMT2A
SCHEMBL251862 0.87 PDE2A (0.50) PDE2ATRPV1MEN1LMNAKMT2A
SCHEMBL619018 0.87 PDE2A (0.50) PDE2ATRPV1MEN1LMNAKMT2A
SCHEMBL617629 0.86 PDE2A (0.42) PDE2ASUCNR1TRPV1MAPK1ALDH1A1
SCHEMBL617630 0.86 PDE2A (0.42) PDE2ASUCNR1TRPV1MAPK1ALDH1A1
SCHEMBL619912 0.82 SUCNR1 (0.48) PDE2ASUCNR1MEN1LMNAKMT2A
SCHEMBL617278 0.82 SUCNR1 (0.44) PDE2ASUCNR1MAPK1
SCHEMBL617279 0.82 SUCNR1 (0.44) PDE2ASUCNR1MAPK1
SCHEMBL618479 0.82 CLK1 (0.53) PDE2AMAPK1MAPK8

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 PDE2A 31/4885NR1H4 527/4885SUCNR1 579/4885

“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.