SCHEMBL807644

SCHEMBL807644

COc1ccc(OC)c(CC(=O)N2CCc3[nH]nc(-c4ccncc4)c3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
CREBBP Q92793 2/20 0.52
BRD4 O60885 1/20 0.52
MAPK1 P28482 2/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GNRHR P30968 1/20 0.43
EP300 Q09472 1/20 0.42

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
SCHEMBL807435 0.88 BRD4 (0.59) NPC1CREBBPBRD4MAPK1DPP4
SCHEMBL15065457 0.85 CREBBP (0.55) NPC1CREBBPBRD4MAPK1EP300
SCHEMBL807569 0.79 BRD4 (0.62) CREBBPBRD4MAPK1
SCHEMBL807242 0.79 BRD4 (0.57) NPC1CREBBPBRD4MAPK1DPP4
SCHEMBL10212328 0.78 BRD4 (0.60) CREBBPBRD4MAPK1DPP4DPP8
SCHEMBL15065253 0.78 BRD4 (0.60) CREBBPBRD4MAPK1DPP4DPP8
SCHEMBL807436 0.78 BRD4 (0.60) CREBBPBRD4MAPK1GNRHR
SCHEMBL807239 0.77 BRD4 (0.64) CREBBPBRD4MAPK1
SCHEMBL15082111 0.76 MAPK1 (0.59) CREBBPBRD4MAPK1EP300
SCHEMBL15082126 0.75 BRD4 (0.57) CREBBPBRD4MAPK1DPP4DPP8

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 7 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-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
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
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 NPC1 2394/4885CREBBP 183/4885BRD4 845/4885

“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.