SCHEMBL7019704

SCHEMBL7019704

COc1nccc2c1C(c1ccc(F)c(Br)c1)C(C#N)=C(C)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.52
ABCC8 Q09428 7/20 0.52
KCNJ11 Q14654 7/20 0.52
KCNJ8 Q15842 7/20 0.52
NR3C2 P08235 2/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.51
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP7 Q93009 5/20 0.38
MET P08581 1/20 0.36
RPS6KA3 P51812 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL7016978 0.86 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8NR3C2
SCHEMBL7103412 0.84 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8NR3C2
SCHEMBL7101141 0.77 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8NR3C2
SCHEMBL7098533 0.76 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL7104751 0.76 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7573252 0.75 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL7015302 0.72 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7243802 0.72 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7235474 0.70 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7098825 0.69 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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.