SCHEMBL19911604

SCHEMBL19911604

Nc1ccc2nnn(C(=O)C(F)(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 11/20 0.38
AMY1A P0DUB6 11/20 0.38
GAA P10253 11/20 0.38
SI P14410 11/20 0.38
MGAM2 Q2M2H8 11/20 0.38
KMT2A Q03164 2/20 0.36
F2 P00734 1/20 0.36
HPGD P15428 1/20 0.36
SLC9A1 P19634 1/20 0.36
KCNMA1 Q12791 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3A P49840 1/20 0.34
LIMK1 P53667 1/20 0.34

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
SCHEMBL19848238 0.88 KDM4E (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL19911632 0.83 KMT2A (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL19848158 0.82 MGAM (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL19915683 0.82 KCNMA1 (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL19848081 0.80 CHEK1 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL19848349 0.79 HDAC3 (0.55) MGAMAMY1AGAASIMGAM2
SCHEMBL19915672 0.78 PIN1 (0.36) MGAMAMY1AGAASIMGAM2
SCHEMBL4963445 0.78 GAA (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL19911573 0.77 MGAM (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL5873836 0.75 NR1H2 (0.43) MGAMAMY1AGAASIMGAM2

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
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US 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 MGAM 3479/4885AMY1A 4249/4885GAA 4140/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 MGAM 3479/4885AMY1A 4249/4885GAA 4140/4885

“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.