SCHEMBL7098533

SCHEMBL7098533

CC1=C(C#N)C(c2ccc(F)c(Br)c2)c2c(cc[nH]c2=S)N1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.54
KCNJ11 Q14654 16/20 0.54
ABCC8 Q09428 15/20 0.54
KCNJ8 Q15842 15/20 0.54
IDO1 P14902 2/20 0.37
MET P08581 1/20 0.36
RPS6KA3 P51812 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7104751 0.87 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8IDO1
SCHEMBL7016978 0.78 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8IDO1
SCHEMBL7573252 0.77 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8IDO1
SCHEMBL7019704 0.76 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8MET
SCHEMBL7103412 0.76 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8IDO1
SCHEMBL7015302 0.76 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8IDO1
SCHEMBL7243802 0.72 ABCC9 (0.61) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7235474 0.70 ABCC9 (0.59) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7101141 0.70 ABCC9 (0.47) ABCC9KCNJ11ABCC8KCNJ8POLB
SCHEMBL7098825 0.69 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8

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 4 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
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US 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 440/4885KCNJ11 8/4885ABCC8 645/4885

“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.