SCHEMBL7100408

SCHEMBL7100408

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 8/20 0.44
ABCC9 O60706 5/20 0.42
ABCC8 Q09428 5/20 0.42
KCNJ11 Q14654 5/20 0.42
KCNJ8 Q15842 5/20 0.42
GAA P10253 6/20 0.41
HPGD P15428 5/20 0.41
GLA P06280 5/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MET P08581 2/20 0.38
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7101783 0.89 ABCC9 (0.48) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7102992 0.88 KDM4E (0.48) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7101772 0.85 ABCC9 (0.49) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7580735 0.82 ALDH1A1 (0.43) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7099480 0.81 ABCC9 (0.52) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7850970 0.81 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7583051 0.79 ABCC9 (0.52) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7015304 0.79 ABCC9 (0.50) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL7098825 0.79 ABCC9 (0.66) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL5073031 0.77 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8

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 KDM4E 1292/4885ALDH1A1 555/4885ABCC9 440/4885

“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.