SCHEMBL250691

SCHEMBL250691

CCOC(=O)c1cc2cccnc2nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP1 P29466 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 2/20 0.43
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL28912380 0.86 TSHR (0.52) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL1680890 0.85 MAOA (0.47) KDM4EALDH1A1TSHRHTTMAOA
SCHEMBL8832375 0.85 BRD4 (0.49) KDM4EALDH1A1KMT2ATSHRHTT
SCHEMBL15128363 0.85 ALOX15 (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL617599 0.82 MAPT (0.49) KDM4EALDH1A1LMNATSHRHTT
SCHEMBL31345651 0.81 KDM4E (0.48) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL26617498 0.81 KDM4E (0.48) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL5297257 0.81 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL30813138 0.81 KDM4E (0.53) KDM4EALDH1A1TSHRHTTMAOA
SCHEMBL633966 0.81 HTT (0.44) KDM4EALDH1A1MEN1KMT2ALMNA

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 11 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

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 KDM4E 3377/4885ALDH1A1 468/4885CASP1 3358/4885

“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.