SCHEMBL249874

SCHEMBL249874

CCOC(=O)c1c(C)[nH]c2ncccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 4/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
CYP2D6 P10635 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM5A P29375 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP2 O95551 1/20 0.44

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
SCHEMBL9696279 0.82 AURKA (0.45) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL1063233 0.81 KDM5A (0.62) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL11164924 0.80 KDM5A (0.49) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL1055294 0.80 KDM5A (0.49) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL19846945 0.78 KDM4E (0.58) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL15175716 0.77 NR4A2 (0.60) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL16464368 0.77 ALDH1A1 (0.48) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL1665308 0.76 MEN1 (0.67) KMT2AMEN1MAPTCYP1A2CYP2C19
SCHEMBL618089 0.76 POLB (0.58) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL11168705 0.76 HTR6 (0.50) KMT2AMEN1RAB9AMAPTALDH1A1

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 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-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
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 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 KMT2A 3409/4885MEN1 3494/4885RAB9A 2438/4885

“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.