SCHEMBL617449

SCHEMBL617449

Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACE2 Q9BYF1 1/20 0.42
KMT2A Q03164 1/20 0.42
KLKB1 P03952 1/20 0.40
HPGD P15428 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
EGLN1 Q9GZT9 3/20 0.39
SIRT6 Q8N6T7 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR1 P21554 1/20 0.38
TP53 P04637 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
SCHEMBL620530 0.90 TRPV1 (0.48) HTTSMN1; SMN2ACE2KMT2AKLKB1
SCHEMBL619238 0.88 TRPV1 (0.48) HTTSMN1; SMN2ACE2KMT2AHPGD
SCHEMBL619737 0.87 HTT (0.45) HTTSMN1; SMN2ACE2KMT2AHPGD
SCHEMBL10233062 0.85 HTT (0.64) HTTSMN1; SMN2ACE2KMT2AKLKB1
SCHEMBL10278163 0.80 EGLN1 (0.57) HTTSMN1; SMN2KMT2AHPGDEGLN1
SCHEMBL616709 0.80 SMN1; SMN2 (0.54) HTTSMN1; SMN2KMT2AHPGDEGLN1
SCHEMBL618734 0.80 EGLN1 (0.60) HTTSMN1; SMN2KMT2AHPGDEGLN1
SCHEMBL619017 0.80 HTT (0.69) HTTSMN1; SMN2KMT2AHPGDCNR1
SCHEMBL254150 0.79 MAPK1 (0.55) HTTSMN1; SMN2HPGDEGLN1
SCHEMBL618429 0.79 HTT (0.43) HTTSMN1; SMN2HPGDEGLN1KCNH2

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
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
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 HTT 4219/4885SMN1; SMN2 4137/4885ACE2 877/4885

“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.