SCHEMBL16409178

SCHEMBL16409178

CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C#CC#Cc3ccc4nc([C@@H](N)C(C)(C)C)[nH]c4c3)cc2[nH]1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.44
SCN10A Q9Y5Y9 10/20 0.41
CFB P00751 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
LCK P06239 1/20 0.36
PTPN1 P18031 1/20 0.34

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
SCHEMBL20054403 0.94 AAK1 (0.48) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL15116592 0.94 AAK1 (0.48) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL15116752 0.90 AAK1 (0.49) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL20054517 0.90 AAK1 (0.49) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL15116854 0.86 AAK1 (0.46) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL20054461 0.86 AAK1 (0.46) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL16409177 0.85 AAK1 (0.42) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL16391185 0.85 AAK1 (0.48) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL20221198 0.83 AAK1 (0.49) AAK1SCN10ACFBGABRA1GABRG2
SCHEMBL15116808 0.83 AAK1 (0.49) AAK1SCN10ACFBGABRA1GABRG2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885SCN10A 4191/4885CFB 2199/4885

“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.