SCHEMBL19915947

SCHEMBL19915947

CC(=O)n1nnc2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.40
GAA P10253 7/20 0.39
F2 P00734 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
F12 P00748 1/20 0.38
DYRK1A Q13627 1/20 0.38
HCAR3 P49019 3/20 0.38
SETDB1 Q15047 1/20 0.38
MGAM O43451 5/20 0.38
AMY1A P0DUB6 5/20 0.38
SI P14410 5/20 0.38
MGAM2 Q2M2H8 5/20 0.38
HPGD P15428 1/20 0.36
SLC9A1 P19634 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
SCHEMBL19915664 0.88 DYRK1A (0.41) GAAF2ALDH1A1F12DYRK1A
SCHEMBL19915883 0.81 KCNMA1 (0.41) KCNMA1GAAKDM4EALDH1A1GLA
SCHEMBL11440840 0.78 KCNMA1 (0.61) KCNMA1GAAF2ALDH1A1HCAR3
SCHEMBL19911589 0.76 CHEK1 (0.54) KCNMA1GAAF2KDM4EHCAR3
SCHEMBL19848247 0.76 KCNMA1 (0.59) KCNMA1GAAF2ALDH1A1GLA
SCHEMBL19848568 0.76 ALDH1A1 (0.38) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL19915948 0.76 HCAR3 (0.50) GAAKDM4EALDH1A1GLAHCAR3
SCHEMBL13318823 0.75 PTGS1 (0.42) KCNMA1GAAF2ALDH1A1F12
SCHEMBL19848277 0.74 F12 (0.52) KCNMA1GAAF2KDM4EALDH1A1
SCHEMBL12594053 0.74 ASAH1 (0.47) KCNMA1GAAALDH1A1SETDB1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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 (2 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 KCNMA1 525/4885GAA 4140/4885F2 161/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 KCNMA1 525/4885GAA 4140/4885F2 161/4885

“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.