SCHEMBL17847965

SCHEMBL17847965

COc1c(Cl)nc(C)c2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
BRD4 O60885 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 1/20 0.33
LCK P06239 2/20 0.31
MAPT P10636 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
HTT P42858 1/20 0.31
PTK2 Q05397 1/20 0.31
GAA P10253 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
SCHEMBL21196014 0.71 HTT (0.35) KDM4EALDH1A1HPGDBRD4MAPK1
SCHEMBL5997719 0.70 CHUK (0.38) KDM4EALDH1A1HPGDBRD4NOS1
SCHEMBL19950255 0.69 BRD4 (0.40) BRD4NOS1LCKGAA
SCHEMBL25758166 0.69 NOS1 (0.38) KDM4EALDH1A1HPGDBRD4MAPK1
SCHEMBL15667321 0.69 ALDH1A1 (0.45) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL30070507 0.69 BRD4 (0.40) BRD4NOS1LCKGAA
SCHEMBL23122444 0.67 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL27185490 0.67 AXL (0.38) KDM4EALDH1A1HPGDBRD4NOS1
SCHEMBL24786481 0.67 BRD4 (0.35) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL27186371 0.66 SMN1; SMN2 (0.43) MAPK1MAPT

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-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US 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

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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 KDM4E 2007/4885ALDH1A1 670/4885HPGD 642/4885

“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.