SCHEMBL17848004

SCHEMBL17848004

COC(=O)Cc1nc(Cl)cc2cnn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
USP2 O75604 1/20 0.37
HSP90AB1 P08238 1/20 0.36
S1PR2 O95136 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 5/20 0.34
KDM4E B2RXH2 2/20 0.34
PDE1C Q14123 1/20 0.34
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17848036 0.85 MAPK1 (0.39) MAPK1S1PR2P2RX7
SCHEMBL17844744 0.81 MAPK1 (0.44) MAPK1S1PR2
SCHEMBL17846189 0.78 MAPK1 (0.43) MAPK1S1PR2P2RX7
SCHEMBL21535625 0.76 MAPK1 (0.35) MAPK1S1PR2
SCHEMBL17844819 0.76 MAPK1 (0.33) MAPK1ALDH1A1RAB9AMAPT
SCHEMBL17848017 0.76 MAPK1 (0.36) MAPK1S1PR2
SCHEMBL17846050 0.75 MAPK1 (0.32) MAPK1
SCHEMBL17846030 0.73 MAPK1 (0.31) MAPK1
SCHEMBL17846094 0.69 MAPK1 (0.30) MAPK1
SCHEMBL17846062 0.69

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 MAPK1 1/4885USP2 2957/4885HSP90AB1 1424/4885

“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.