SCHEMBL5483833

SCHEMBL5483833

CC(=O)N1CCC(CNc2ncc(C)c(/C(C#N)=C3\Nc4ccccc4O3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.40
▸ GRIN2B Q13224 7/20 0.39
▸ VNN1 O95497 1/20 0.36
▸ SYK P43405 4/20 0.36
▸ BTK Q06187 1/20 0.36
▸ NPY5R Q15761 1/20 0.34
▸ MARK3 P27448 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ GAS6 Q14393 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL5483836 1.00 CYP11B2 (0.40) CYP11B2GRIN2BVNN1SYKBTK
SCHEMBL8294128 1.00 CYP11B2 (0.40) CYP11B2GRIN2BVNN1SYKBTK
SCHEMBL14431020 0.90 GRIN2B (0.41) GRIN2BSYKMERTKJAK2JAK1
SCHEMBL5477801 0.90 GRIN2B (0.41) GRIN2BSYKMERTKJAK2JAK1
SCHEMBL5477796 0.90 GRIN2B (0.41) GRIN2BSYKMERTKJAK2JAK1
SCHEMBL8292579 0.89 GRIN2B (0.38) CYP11B2GRIN2BVNN1NPY5RMAPK1
SCHEMBL5481432 0.87 MAP3K14 (0.34) GRIN2BVNN1JAK2JAK3MAPK1
SCHEMBL5481427 0.87 MAP3K14 (0.34) GRIN2BVNN1JAK2JAK3MAPK1
SCHEMBL5479121 0.87 KHK (0.37) VNN1FLT3TYRO3MERTKGAS6
SCHEMBL5479125 0.87 KHK (0.37) VNN1FLT3TYRO3MERTKGAS6

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 CYP11B2 27/4885GRIN2B 2653/4885VNN1 3960/4885

“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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