SCHEMBL252399

SCHEMBL252399

COc1nc(C(C)(C)C)ccc1CNC(=O)c1cc2cccnc2nc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
EGLN1 Q9GZT9 2/20 0.40
MAPK8 P45983 2/20 0.39
HPGD P15428 3/20 0.39
DGAT2 Q96PD7 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL619599 0.86 SMN1; SMN2 (0.45) EGLN1HPGDSMN1; SMN2HTTLMNA
SCHEMBL15128429 0.83 TRPV1 (0.38) TRPV1HPGDSMN1; SMN2HTTLMNA
SCHEMBL619739 0.81 HTT (0.47) EGLN1HPGDSMN1; SMN2HTTLMNA
SCHEMBL616686 0.80 SMN1; SMN2 (0.41) EGLN1SMN1; SMN2HTTLMNAMAPT
SCHEMBL10278377 0.79 SMN1; SMN2 (0.45) EGLN1MAPK8HPGDDGAT2SMN1; SMN2
SCHEMBL253788 0.77 HTT (0.52) EGLN1HPGDSMN1; SMN2HTTLMNA
SCHEMBL31018193 0.77 HTT (0.52) EGLN1HPGDSMN1; SMN2HTTLMNA
SCHEMBL618421 0.76 MEN1 (0.50) TRPV1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL617423 0.76 KMT2A (0.62) EGLN1HPGDLMNAKMT2AMAPT
SCHEMBL10278163 0.75 EGLN1 (0.57) EGLN1MAPK8HPGDSMN1; SMN2HTT

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-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
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO 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
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 TRPV1 248/4885EGLN1 1015/4885MAPK8 3796/4885

“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.