SCHEMBL620177

SCHEMBL620177

Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCOC[C@@H]2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
MTOR P42345 8/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRA1 P14867 2/20 0.41
DRD4 P21917 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
HTR1A P08908 1/20 0.40
NUDT1 P36639 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CHEK1 O14757 1/20 0.39
ATR Q13535 1/20 0.39
PDCD1 Q15116 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL616608 1.00 LRRK2 (0.43) LRRK2MTORHTTSMN1; SMN2GABRA1
SCHEMBL616607 1.00 LRRK2 (0.43) LRRK2MTORHTTSMN1; SMN2GABRA1
SCHEMBL618429 0.86 HTT (0.43) HTTSMN1; SMN2CNR1KCNH2
SCHEMBL620530 0.81 TRPV1 (0.48) HTTSMN1; SMN2
SCHEMBL619952 0.79 PDE5A (0.46) HTTSMN1; SMN2
SCHEMBL619238 0.78 TRPV1 (0.48) HTTSMN1; SMN2CNR1KCNH2
SCHEMBL617662 0.78 HTT (0.46) HTTSMN1; SMN2
SCHEMBL617449 0.78 HTT (0.45) HTTSMN1; SMN2CNR1KCNH2
SCHEMBL619737 0.78 HTT (0.45) HTTSMN1; SMN2CNR1KCNH2
SCHEMBL10278163 0.77 EGLN1 (0.57) HTTSMN1; SMN2

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 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
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 LRRK2 4682/4885MTOR 4059/4885HTT 4219/4885

“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.