SCHEMBL7101783

SCHEMBL7101783

CC1=C(C#N)C(c2ccc(F)c(C(F)(F)F)c2)C2=C(CCNC2=O)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.48
ABCC8 Q09428 9/20 0.48
KCNJ11 Q14654 9/20 0.48
KCNJ8 Q15842 9/20 0.48
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
GAA P10253 5/20 0.42
HPGD P15428 4/20 0.42
GLA P06280 3/20 0.42
ELANE P08246 1/20 0.40
MET P08581 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7015304 0.90 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7100408 0.89 KDM4E (0.44) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7099480 0.89 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7098825 0.86 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7101772 0.86 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7018720 0.83 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7102992 0.80 KDM4E (0.48) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7852788 0.80 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7583051 0.80 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7575205 0.80 ABCC9 (0.42) 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 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 440/4885ABCC8 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.