SCHEMBL19915906

SCHEMBL19915906

C#CCn1cnc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
TRPV4 Q9HBA0 13/20 0.42
QPCT Q16769 1/20 0.41
AGER Q15109 1/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
MAP3K14 Q99558 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
SCHEMBL19915849 0.88 GABRP (0.42) BRD4QPCTAGER
SCHEMBL19915909 0.88 BRD4 (0.44) BRD4TRPV4QPCTAGERJAK2
SCHEMBL11331901 0.81 BRD4 (0.49) BRD4TRPV4QPCTAGERJAK2
SCHEMBL19848088 0.79 BRD4 (0.45) BRD4TRPV4QPCTAGERJAK2
SCHEMBL19911333 0.78 TNF (0.44)
SCHEMBL2311276 0.78 MAPT (0.47) QPCTMAP3K14
SCHEMBL19911438 0.78 QPCT (0.39) BRD4QPCT
SCHEMBL19848346 0.78 BRD4 (0.44) BRD4TRPV4QPCTAGERJAK2
SCHEMBL19553628 0.78 POLB (0.55) BRD4TRPV4QPCTAGERJAK2
SCHEMBL17103033 0.78 BRD4 (0.44) BRD4TRPV4QPCTAGER

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 2 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

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.