SCHEMBL16213622

SCHEMBL16213622

Nc1cc2c(cc1Br)c(Cl)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
CASP9 P55211 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
CASP8 Q14790 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 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
SCHEMBL16619784 0.84 CASP7 (0.31) CASP6CASP8MAPK1
SCHEMBL20920118 0.77 MAPK1 (0.32) MAPK1
SCHEMBL31021996 0.73 RORC (0.31) MEN1LMNAMAPTBLMKMT2A
SCHEMBL16213595 0.73 CASR (0.38) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16213596 0.73 CASR (0.38) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16631069 0.71
SCHEMBL17108567 0.70 ADORA3 (0.39)
SCHEMBL17848185 0.70 PDGFRA (0.47) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL28210002 0.70 ACSS2 (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16620018 0.70 MEN1 (0.31) MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
EP-2991654-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-11-21 EP disclosed
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-08 US disclosed
US-10065967-B2 Compounds that are ERK inhibitors Merck, Sharp & Dohme Corp. (US) 2018-09-04 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
EP-2991654-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-09 EP disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 WO disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 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 (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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 KDM4E 2896/4885MEN1 1429/4885ALDH1A1 450/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 KDM4E 3039/4885MEN1 1599/4885ALDH1A1 560/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 KDM4E 3039/4885MEN1 1599/4885ALDH1A1 560/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 KDM4E 2896/4885MEN1 1429/4885ALDH1A1 450/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 KDM4E 2912/4885MEN1 1849/4885ALDH1A1 809/4885

“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.