SCHEMBL5473023

SCHEMBL5473023

CN(C)C(=O)CN1CCC(CNc2nccc(C(C#N)=C3Nc4ccccc4O3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ CDK9 P50750 4/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GRIN2B Q13224 7/20 0.34
▸ SGK1 O00141 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ BLK P51451 1/20 0.33
▸ RPS6KA3 P51812 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
SCHEMBL5473021 1.00 MAP3K14 (0.38) MAP3K14USP30ADRA1DADRA1AADRA1B
SCHEMBL5476896 0.87 GRIN2B (0.40) USP30GRIN2BVCP
SCHEMBL5480629 0.87 GRIN2B (0.40) USP30GRIN2BVCP
SCHEMBL8292639 0.87 GRIN2B (0.40) USP30CDK9CCNT1GRIN2BVCP
SCHEMBL5478744 0.87 GRIN2B (0.40) USP30CDK9CCNT1GRIN2BVCP
SCHEMBL5477983 0.87 GRIN2B (0.40) USP30CDK9CCNT1GRIN2BVCP
SCHEMBL5481427 0.87 MAP3K14 (0.34) MAP3K14USP30ADRA1DADRA1AADRA1B
SCHEMBL5481432 0.87 MAP3K14 (0.34) MAP3K14USP30ADRA1DADRA1AADRA1B
SCHEMBL6021795 0.86 GRIN2B (0.41) USP30ADRA1DADRA1AADRA1BGRIN2B
SCHEMBL6021793 0.86 GRIN2B (0.41) USP30ADRA1DADRA1AADRA1BGRIN2B

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-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US claimed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — 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 (1 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-20070185104-A1 Benzoxazole acetonitriles PKD1, PC, GPR119 MAP3K14 2826/4885USP30 3096/4885ADRA1D 3113/4885

“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.

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