SCHEMBL617599

SCHEMBL617599

CCOC(=O)c1cc2cccnc2nc1NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.48
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41

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 0.84 TSHR (0.52) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1680890 0.83 MAOA (0.47) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8832375 0.83 BRD4 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL250691 0.82 KDM4E (0.48) MAPTKDM4EALDH1A1HTTBRD4
SCHEMBL252393 0.81 LMNA (0.47) MAPTNPC1KDM4EALDH1A1HTT
SCHEMBL9378964 0.80 PARP1 (0.46) MAPTNPC1KDM4EALDH1A1HPGD
SCHEMBL28000002 0.79 HTT (0.67) MAPTNPC1KDM4EALDH1A1HSD17B10
SCHEMBL5297257 0.79 ALDH1A1 (0.58) MAPTNPC1KDM4EALDH1A1HPGD
SCHEMBL30813138 0.79 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL633966 0.79 HTT (0.44) MAPTNPC1KDM4EALDH1A1HSD17B10

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
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 MAPT 4262/4885NPC1 1797/4885KDM4E 3377/4885

“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.