SCHEMBL617423

SCHEMBL617423

COc1cccc(CNC(=O)c2cc3cccnc3nc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
HPGD P15428 3/20 0.62
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
THRB P10828 1/20 0.56
APEX1 P27695 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
USP2 O75604 1/20 0.55
EGLN1 Q9GZT9 1/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.54
MMP13 P45452 2/20 0.54
RAB9A P51151 1/20 0.53
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
PRKACA P17612 2/20 0.52
PRKX P51817 2/20 0.52
PRKCQ Q04759 2/20 0.52

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
SCHEMBL618560 0.89 EGLN1 (0.51) KMT2AHPGDLMNAMAPTTP53
SCHEMBL248260 0.86 ROCK2 (0.46) KMT2AHPGDKDM4EEGLN1MEN1
SCHEMBL616897 0.86 EGLN1 (0.60) KMT2AHPGDLMNAMAPTALDH1A1
SCHEMBL10278163 0.85 EGLN1 (0.57) KMT2AHPGDLMNAMAPTALDH1A1
SCHEMBL617421 0.85 KMT2A (0.55) KMT2AHPGDLMNAMAPTTP53
SCHEMBL617738 0.85 MAPT (0.52) KMT2AHPGDLMNAMAPTTP53
SCHEMBL619376 0.84 LIPG (0.49) KMT2ALMNATHRBALDH1A1KDM4E
SCHEMBL7010267 0.83 LMNA (0.61) KMT2AHPGDLMNAMAPTTP53
SCHEMBL620170 0.82 KLK1 (0.51) KMT2AHPGDPRKACAPRKXPRKCQ
SCHEMBL247884 0.82 LMNA (0.52) KMT2AHPGDLMNAMEN1CYP3A4

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 KMT2A 3409/4885HPGD 151/4885LMNA 4429/4885

“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.