SCHEMBL620170

SCHEMBL620170

Cc1nc2ncccc2cc1C(=O)NCc1cccc(-c2ccncc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.51
KLKB1 P03952 1/20 0.50
AURKA O14965 3/20 0.49
ROCK1 Q13464 9/20 0.47
ROCK2 O75116 8/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
SUCNR1 Q9BXA5 2/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRKACA P17612 3/20 0.46
PRKX P51817 3/20 0.46
PRKCQ Q04759 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL619376 0.94 LIPG (0.49) KLK1KLKB1SUCNR1HTTSMN1; SMN2
SCHEMBL619890 0.91 KLKB1 (0.52) KLK1KLKB1CYP2C9SUCNR1PRMT6
SCHEMBL619854 0.90 HTT (0.52) KLK1KLKB1ROCK1ROCK2CYP3A4
SCHEMBL618560 0.88 EGLN1 (0.51) AURKAROCK1ROCK2CYP3A4CYP2D6
SCHEMBL254150 0.88 MAPK1 (0.55) HTTSMN1; SMN2HPGDMAPK1
SCHEMBL10232805 0.86 HTT (0.45) SUCNR1HTTSMN1; SMN2HPGDKMT2A
SCHEMBL619639 0.85 HTT (0.56) KLK1KLKB1SUCNR1HTTSMN1; SMN2
SCHEMBL10278163 0.84 EGLN1 (0.57) HTTSMN1; SMN2HPGDKMT2A
SCHEMBL617421 0.84 KMT2A (0.55) ROCK1HTTSMN1; SMN2HPGDKMT2A
SCHEMBL617738 0.84 MAPT (0.52) HTTSMN1; SMN2HPGDKMT2A

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 17 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
CN-112437771-B Bronchodilating heteroatom-linked amides 阿凯德制药公司 2024-06-18 CN disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
EP-3818055-B1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB PUBL (SE) 2022-02-16 EP disclosed
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ARCEDE PHARMA AB (SE) 2021-05-13 US disclosed
CN-112437771-A Novel bronchodilator heteroatom-linked amides 瑞思拜尔锐特略斯股份公司 2021-03-02 CN disclosed
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 (3 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-11680054-B2 Bronchodilating hetero-linked amides PTGIS, PTGIR, ADRB2 KLK1 2101/4885KLKB1 1793/4885AURKA 1930/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 KLK1 1947/4885KLKB1 2224/4885AURKA 3603/4885
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ADRB2, ADRB1, PTGIS KLK1 2141/4885KLKB1 1944/4885AURKA 1972/4885

“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.