SCHEMBL19915664

SCHEMBL19915664

CC(=O)n1nnc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
PIN1 Q13526 1/20 0.38
F12 P00748 1/20 0.38
SETDB1 Q15047 1/20 0.38
GAA P10253 7/20 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
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B2 P19099 2/20 0.37
ACSS2 Q9NR19 1/20 0.36
F2 P00734 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
SLC9A1 P19634 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
SCHEMBL19915947 0.88 KCNMA1 (0.40) DYRK1AF12SETDB1GAAMGAM
SCHEMBL31023783 0.84 DYRK1A (0.39) DYRK1APIN1F12SETDB1GAA
SCHEMBL19915672 0.81 PIN1 (0.36) DYRK1APIN1F12GAAMGAM
SCHEMBL5639724 0.80 FAAH (0.45) ALDH1A1CYP11B2HPGD
SCHEMBL19911492 0.78 GAA (0.49) F12GAAMGAMAMY1ASI
SCHEMBL19848081 0.76 CHEK1 (0.50) F12GAAMGAMAMY1ASI
SCHEMBL19911626 0.76 KMT2A (0.48) DYRK1AF12GAAMGAMAMY1A
SCHEMBL19848265 0.76 ALDH1A1 (0.40) GAAALDH1A1TDP1CYP11B2ACSS2
SCHEMBL4245748 0.76 SLC9A1 (0.48) GAACYP11B2ACSS2HPGDMAPT
SCHEMBL12593990 0.75 PHGDH (0.44)

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 DYRK1A 2663/4885PIN1 1914/4885F12 34/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 DYRK1A 2663/4885PIN1 1914/4885F12 34/4885

“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.