SCHEMBL6006419

SCHEMBL6006419

O=[C]NCc1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6006685 0.79
SCHEMBL8176900 0.77 NAAA (0.35) P2RX7ALDH1A1
SCHEMBL6008601 0.76 NAAA (0.37) KCNH3ALDH1A1
SCHEMBL772291 0.74 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL6004967 0.72 FDPS (0.36) ALDH1A1SMN1; SMN2
SCHEMBL6007517 0.72
SCHEMBL1996668 0.71
SCHEMBL1997311 0.71
SCHEMBL16606307 0.71 ALDH1A1 (0.39) KCNH3P2RX7ALDH1A1SMN1; SMN2
SCHEMBL4335988 0.70 MTNR1A (0.39)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237410-B1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2020-12-16 EP claimed
EP-3237410-B1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2020-12-16 EP disclosed
US-10273231-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2019-04-30 US disclosed
US-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2019-02-07 US disclosed
US-10093662-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2018-10-09 US disclosed
US-20180002323-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2018-01-04 US disclosed
EP-3237410-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2017-11-01 EP disclosed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
WO-2016102482-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2016-06-30 WO disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (5 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-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL5, CUL1, CUL3 KCNH3 794/4885P2RX7 1680/4885ALDH1A1 1791/4885
US-20180002323-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL1, CRY1, CUL5 KCNH3 818/4885P2RX7 3544/4885ALDH1A1 1313/4885
US-10093662-B2 Azoline compounds substituted by a condensed ring system CUL1, CRY1, CUL5 KCNH3 818/4885P2RX7 3544/4885ALDH1A1 1313/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 KCNH3 1284/4885P2RX7 2051/4885ALDH1A1 228/4885
US-10273231-B2 Azoline compounds substituted by a condensed ring system CUL5, CUL1, CUL3 KCNH3 794/4885P2RX7 1680/4885ALDH1A1 1791/4885

“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.