SCHEMBL2731608

SCHEMBL2731608

Cn1nc(-c2ccc3[nH]nc(-c4ccncc4)c3c2)nc1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
PRMT5 O14744 2/20 0.40
CYP2C9 P11712 1/20 0.40
CHEK2 O96017 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL2731610 1.00 HPGDS (0.41) HPGDSGPR119PRMT5CYP2C9CHEK2
SCHEMBL2732410 0.89 HPGDS (0.42) HPGDSPRMT5CHEK2USP30
SCHEMBL2732920 0.89 HPGDS (0.42) HPGDSPRMT5CHEK2USP30
SCHEMBL2731489 0.80 USP30 (0.42) HPGDSGPR119PRMT5CYP2C9USP30
SCHEMBL15248165 0.80 HPGDS (0.42) HPGDSGPR119PRMT5CYP2C9CHEK2
SCHEMBL15248281 0.79 SCN9A (0.43) HPGDSPRMT5CHEK2USP30
SCHEMBL2731625 0.74 HPGDS (0.46) HPGDSPRMT5CHEK2USP30
SCHEMBL2731621 0.74 HPGDS (0.46) HPGDSPRMT5CHEK2USP30
SCHEMBL15239513 0.73 HPGDS (0.44) HPGDSGPR119PRMT5CHEK2USP30
SCHEMBL15239511 0.73 HPGDS (0.44) HPGDSGPR119PRMT5CHEK2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536319-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-11 EP disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
EP-2632268-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 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 (1 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-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 HPGDS 1104/4885GPR119 1125/4885PRMT5 839/4885

“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.