SCHEMBL12295805

SCHEMBL12295805

C#Cc1ccc2c(ccc3nc([C@@H]4C[C@H]5C[C@H]5N4C(=O)OC(C)(C)C)[nH]c32)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA6 Q16445 4/20 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
KAT2B Q92831 1/20 0.31
GABRB2 P47870 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL10200232 1.00 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL16229709 0.93 GABRA1 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12295800 0.90 GABRA5 (0.38) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12373653 0.89 GABRA1 (0.35) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL10202474 0.89 GABRA1 (0.35) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL12328180 0.88 KRAS (0.33) KAT2BJAK1
SCHEMBL13087697 0.87 GABRA1 (0.33) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL6126516 0.87 CDK1 (0.33) KAT2BJAK1
SCHEMBL22361269 0.87 CDK1 (0.33) KAT2BJAK1
SCHEMBL13087924 0.87 CDK1 (0.33) KAT2BJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
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-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 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
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (5 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS GABRG2 3606/4885GABRB3 3509/4885GABRA5 4319/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRG2 3280/4885GABRB3 2346/4885GABRA5 3847/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GABRG2 3280/4885GABRB3 2346/4885GABRA5 3847/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS GABRG2 3606/4885GABRB3 3509/4885GABRA5 4319/4885
US-20140205564-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.