SCHEMBL12373604

SCHEMBL12373604

C#Cc1ccc2c(ccc3nc([C@@H]4CC[C@H](C)N4C(=O)OC(C)(C)C)[nH]c32)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA4 P48169 2/20 0.35
GABRA3 P34903 2/20 0.35
JAK1 P23458 3/20 0.33
KAT2B Q92831 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CHEK2 O96017 1/20 0.30

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
SCHEMBL12373606 0.89 GABRA5 (0.38) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12373673 0.89 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL10202464 0.89 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL10201761 0.86 USP30 (0.34) JAK1KAT2BCHEK2
SCHEMBL19488783 0.86 USP30 (0.34) JAK1KAT2BCHEK2
SCHEMBL13087697 0.86 GABRA1 (0.33) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL12295805 0.85 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL10200232 0.85 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL10201488 0.85 L3MBTL1 (0.40) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL10200239 0.84 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA6GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRG2 3280/4885GABRB3 2346/4885GABRA5 3847/4885

“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.