SCHEMBL14893136

SCHEMBL14893136

COC[C@@H](NC(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TACR3 P29371 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
NAMPT P43490 1/20 0.48
MAPK1 P28482 3/20 0.47
MMP2 P08253 3/20 0.46
MMP3 P08254 2/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL15716619 1.00 TAS1R3 (0.54) TAS1R3TAS1R1TACR3LMNATSHR
SCHEMBL4490832 0.86 TAS1R3 (0.60) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL7723793 0.85 TAS1R3 (0.56) TAS1R3TAS1R1TACR3LMNATSHR
SCHEMBL7723790 0.85 TAS1R3 (0.56) TAS1R3TAS1R1TACR3LMNATSHR
SCHEMBL792022 0.85 TAS1R3 (0.56) TAS1R3TAS1R1TACR3LMNATSHR
SCHEMBL16965057 0.84 MAPK1 (0.49) MAPK1
SCHEMBL16965472 0.84 MAPK1 (0.49) MAPK1
SCHEMBL16965332 0.84 MAPK1 (0.49) MAPK1
SCHEMBL18943197 0.83 TAS1R3 (0.54) TAS1R3TAS1R1TACR3TSHRROCK2
SCHEMBL14186870 0.83 TAS1R3 (0.54) TAS1R3TAS1R1TACR3TSHRROCK2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 EP disclosed
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 EP disclosed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-2900241-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
US-9023865-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20140296203-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2770987-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
WO-2013063214-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (4 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-20140296203-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 TAS1R3 4202/4885TAS1R1 3650/4885TACR3 3487/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 TAS1R3 4475/4885TAS1R1 3974/4885TACR3 3280/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 TAS1R3 4202/4885TAS1R1 3650/4885TACR3 3487/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 TAS1R3 3404/4885TAS1R1 2587/4885TACR3 3343/4885

“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.