SCHEMBL7017793

SCHEMBL7017793

CCOC(=O)C1=C(C)Nc2ccnc(Cl)c2C1c1ccc(F)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.57
ABCC8 Q09428 3/20 0.57
KCNJ11 Q14654 3/20 0.57
KCNJ8 Q15842 3/20 0.57
ABCC1 P33527 1/20 0.48
CACNA1F O60840 4/20 0.46
CACNA1D Q01668 4/20 0.46
CACNA1S Q13698 4/20 0.46
CACNA1C Q13936 4/20 0.46
ACHE P22303 5/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7099447 0.90 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CACNA1F
SCHEMBL3022755 0.81 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL7016978 0.77 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7594699 0.74 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CACNA1F
SCHEMBL8214827 0.72 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL7573282 0.71 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL27692028 0.68 KDM4E (0.51) ACHEKDM4EALDH1A1TSHRCASP1
SCHEMBL7101141 0.67 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL3024530 0.67 TSHR (0.53) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL3030945 0.67 ABCC1 (1.00) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP claimed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US claimed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 WO claimed
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP disclosed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US disclosed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 ABCC9 440/4885ABCC8 645/4885KCNJ11 8/4885

“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.