SCHEMBL19915883

SCHEMBL19915883

N#Cc1ccc2c(c1)nnn2C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 6/20 0.41
NTRK1 P04629 1/20 0.38
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
IDH1 O75874 4/20 0.36
KMT2A Q03164 1/20 0.34
F12 P00748 1/20 0.33
PDK2 Q15119 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL19915672 0.89 PIN1 (0.36) NTRK1GAAALDH1A1IDH1KMT2A
SCHEMBL19915947 0.81 KCNMA1 (0.40) KCNMA1GAAKDM4EALDH1A1GLA
SCHEMBL19911622 0.80 KCNMA1 (0.57) KCNMA1PKMGAAALDH1A1GLA
SCHEMBL19848238 0.78 KDM4E (0.44) KCNMA1PKMGAAKDM4EKMT2A
SCHEMBL19911475 0.78 KCNMA1 (0.56) KCNMA1PKMGAAALDH1A1KMT2A
SCHEMBL19915876 0.78 KCNMA1 (0.62) KCNMA1PKMGAAALDH1A1
SCHEMBL19848281 0.76 F12 (0.49) KCNMA1GAAKDM4EALDH1A1F12
SCHEMBL19848231 0.75 GABRP (0.40) NTRK1GAAKDM4EALDH1A1GLA
SCHEMBL4963445 0.74 GAA (0.58) KCNMA1GAAKDM4EALDH1A1GLA
SCHEMBL19911551 0.74 MGAM (0.49) KCNMA1GAAALDH1A1MGAMAMY1A

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 525/4885NTRK1 3111/4885PKM 2292/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 KCNMA1 525/4885NTRK1 3111/4885PKM 2292/4885

“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.