SCHEMBL616709

SCHEMBL616709

Cc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
EGLN1 Q9GZT9 4/20 0.46
KMT2A Q03164 2/20 0.44
PDPK1 O15530 1/20 0.43
PRKCZ Q05513 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 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
SCHEMBL10278163 0.89 EGLN1 (0.57) SMN1; SMN2HTTHPGDMAPTLMNA
SCHEMBL617738 0.89 MAPT (0.52) SMN1; SMN2HTTHPGDMAPTLMNA
SCHEMBL618734 0.88 EGLN1 (0.60) SMN1; SMN2HTTHPGDLMNAEGLN1
SCHEMBL619017 0.88 HTT (0.69) SMN1; SMN2HTTHPGDMAPTLMNA
SCHEMBL254150 0.88 MAPK1 (0.55) SMN1; SMN2HTTHPGDMAPTLMNA
SCHEMBL619639 0.87 HTT (0.56) SMN1; SMN2HTTHPGDLMNAEGLN1
SCHEMBL619854 0.86 HTT (0.52) SMN1; SMN2HTTHPGDEGLN1CYP3A4
SCHEMBL253788 0.86 HTT (0.52) SMN1; SMN2HTTHPGDMAPTLMNA
SCHEMBL619298 0.86 SMN1; SMN2 (0.52) SMN1; SMN2HTTHPGDMAPTEGLN1
SCHEMBL31018193 0.86 HTT (0.52) SMN1; SMN2HTTHPGDMAPTLMNA

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 SMN1; SMN2 4137/4885HTT 4219/4885HPGD 151/4885

“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.