SCHEMBL15081968

SCHEMBL15081968

COc1cccc(F)c1CN1CC(C(C)=O)CC(C(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CD274 Q9NZQ7 5/20 0.42
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 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
SCHEMBL807590 0.91 L3MBTL1 (0.42) TACR1MEN1KMT2AL3MBTL1CD274
SCHEMBL15081966 0.90 ALDH1A1 (0.41) MEN1KMT2AL3MBTL1KDM4ETSHR
SCHEMBL15081999 0.83 MAPK1 (0.44) TACR1SMN1; SMN2MAPK1
SCHEMBL807578 0.82 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1CD274KDM4E
SCHEMBL15081984 0.81 MAPK1 (0.42) TACR1ACHESMN1; SMN2MAPK1
SCHEMBL15081947 0.79 TACR1 (0.51) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL16133818 0.78 TACR1 (0.49) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL16133819 0.78 TACR1 (0.49) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15081954 0.78 TACR1 (0.49) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15084388 0.77 CD274 (0.45) MEN1KMT2AL3MBTL1CD274KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 TACR1 3520/4885MEN1 2779/4885KMT2A 3379/4885

“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.