SCHEMBL5961882

SCHEMBL5961882

CC(C)(C)OC(=O)Nc1ccc(Br)cc1C(=N)I

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL23792670 0.88 ALDH1A1 (0.47) AAK1ALDH1A1GAARXFP1SMN1; SMN2
SCHEMBL23792871 0.86 AAK1 (0.43) AAK1ALDH1A1GAARXFP1SMN1; SMN2
SCHEMBL10194877 0.86 HPGD (0.44) GAARXFP1SMN1; SMN2POLBLMNA
SCHEMBL18535060 0.86 RXFP1 (0.42) ALDH1A1GAARXFP1NPC1RAB9A
SCHEMBL30517815 0.85 POLB (0.53) AAK1ALDH1A1GAAPOLB
SCHEMBL3490024 0.85 POLB (0.53) AAK1ALDH1A1GAAPOLB
SCHEMBL31012013 0.83 ALDH1A1 (0.58) AAK1ALDH1A1GAARXFP1SMN1; SMN2
SCHEMBL19032231 0.83 ALDH1A1 (0.58) AAK1ALDH1A1GAARXFP1SMN1; SMN2
SCHEMBL5962094 0.81 CYP17A1 (0.49) AAK1ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL20036928 0.81 KCNQ4 (0.43) AAK1ALDH1A1RXFP1SMN1; SMN2LMNA

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 6 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-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
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US 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 AAK1 359/4885ALDH1A1 741/4885GAA 3319/4885

“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.