SCHEMBL19915909

SCHEMBL19915909

N#CCn1cnc2ccc(C#N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
TRPV4 Q9HBA0 10/20 0.43
QPCT Q16769 1/20 0.42
AGER Q15109 1/20 0.41
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL19915906 0.88 BRD4 (0.42) BRD4TRPV4QPCTAGERJAK2
SCHEMBL19915850 0.87 GABRP (0.47) BRD4QPCTAGERGABRPGABRD
SCHEMBL11331901 0.84 BRD4 (0.49) BRD4TRPV4QPCTAGERJAK2
SCHEMBL19848088 0.81 BRD4 (0.45) BRD4TRPV4QPCTAGERJAK2
SCHEMBL19848515 0.81 TRPV4 (0.44) BRD4TRPV4QPCT
SCHEMBL19915626 0.81 TNF (0.44) BRD4CSNK2A1
SCHEMBL19915834 0.81 QPCT (0.39) BRD4TRPV4QPCTCDK9CSNK2A1
SCHEMBL19848665 0.81 MAPT (0.47) BRD4QPCTCSNK2A1
SCHEMBL19848660 0.80 JAK2 (0.47) BRD4TRPV4QPCTAGERJAK2
SCHEMBL17103033 0.80 BRD4 (0.44) BRD4TRPV4QPCTAGERDAPK3

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 BRD4 2/4885TRPV4 903/4885QPCT 830/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 BRD4 2/4885TRPV4 903/4885QPCT 830/4885

“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.