SCHEMBL3044085

SCHEMBL3044085

CC(C)(C)OC(=O)Nc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
HCK P08631 2/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 2/20 0.43
EPHB4 P54760 2/20 0.43
PRKDC P78527 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
BRD4 O60885 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
MAPK14 Q16539 1/20 0.40
NR1I3 Q14994 1/20 0.40

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
SCHEMBL29472292 0.86 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL17782354 0.82 NR1H2 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL3046664 0.81 PTPN2 (0.65) ABL1ALDH1A1
SCHEMBL6172431 0.81 GRM4 (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL30366867 0.80 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL18235920 0.80 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL29245694 0.80 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL1623656 0.80 PIK3CD (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.79 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.79 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 PIK3CD 4159/4885ABL1 325/4885EGFR 1790/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CD 2151/4885ABL1 198/4885EGFR 3021/4885

“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.