SCHEMBL248260

SCHEMBL248260

COC(=O)c1cccc(CNC(=O)c2cc3cccnc3nc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.46
ROCK1 Q13464 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CCR1 P32246 1/20 0.46
HTT P42858 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MEN1 O00255 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL617423 0.86 KMT2A (0.62) ROCK2ROCK1KMT2AHPGDRAB9A
SCHEMBL618882 0.85 PPARG (0.48) ROCK2SMN1; SMN2KMT2AHPGDHTT
SCHEMBL10278163 0.84 EGLN1 (0.57) SMN1; SMN2KMT2AHPGDHTTEGLN1
SCHEMBL617421 0.84 KMT2A (0.55) ROCK1SMN1; SMN2KMT2AHPGDNPC1
SCHEMBL617738 0.84 MAPT (0.52) SMN1; SMN2KMT2AHPGDHTTEGLN1
SCHEMBL619376 0.83 LIPG (0.49) SMN1; SMN2KMT2AHTTEGLN1KDM4E
SCHEMBL618560 0.82 EGLN1 (0.51) ROCK2ROCK1SMN1; SMN2KMT2AHPGD
SCHEMBL247884 0.81 LMNA (0.52) SMN1; SMN2KMT2AHPGDCCR1HTT
SCHEMBL620170 0.81 KLK1 (0.51) ROCK2ROCK1SMN1; SMN2KMT2AHPGD
SCHEMBL254150 0.81 MAPK1 (0.55) SMN1; SMN2HPGDHTTEGLN1

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 9 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 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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP 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 ROCK2 1621/4885ROCK1 1062/4885SMN1; SMN2 4137/4885

“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.