SCHEMBL173726

SCHEMBL173726

CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc3c(c2)c(-c2ccncc2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BUB1 O43683 1/20 0.38
F2R P25116 4/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
BTK Q06187 3/20 0.36
USP30 Q70CQ3 1/20 0.36
NAMPT P43490 1/20 0.35
TACR1 P25103 1/20 0.35
RORC P51449 1/20 0.33
ROCK1 Q13464 1/20 0.33
P2RY14 Q15391 1/20 0.33
TP53BP1 Q12888 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
SCHEMBL13854941 0.88 PTPN2 (0.47) NPC1RAB9ABUB1PTPN2PTPN1
SCHEMBL12074401 0.83 USP30 (0.43) F2RUSP30
SCHEMBL9985183 0.83 USP30 (0.43) F2RUSP30
SCHEMBL12074402 0.83 USP30 (0.43) F2RUSP30
SCHEMBL254902 0.82 USP30 (0.38) NPC1RAB9ABUB1PTPN2PTPN1
SCHEMBL15043259 0.82 KHK (0.39) NAMPTROCK1
SCHEMBL18197024 0.78 F2R (0.38) NPC1RAB9ABUB1F2RPTPN2
SCHEMBL13854942 0.74 USP30 (0.49) BTKUSP30
SCHEMBL13854943 0.74 USP30 (0.48) BTKUSP30
SCHEMBL23390223 0.73 F2R (0.52) NPC1RAB9AF2RPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584903-B1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
EP-2584903-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 WO disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 WO 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 (2 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-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MAPK1, MAPK6, MAPK3 NPC1 1793/4885RAB9A 424/4885BUB1 1142/4885
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 NPC1 1540/4885RAB9A 852/4885BUB1 484/4885

“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.