SCHEMBL15081998

SCHEMBL15081998

CC(C)[C@@H]1CCCN(Cc2cccc3cnccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
ROCK2 O75116 17/20 0.56
ROCK1 Q13464 7/20 0.56
CCR2 P41597 3/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL807183 0.86 TSHR (0.66) HTTTSHR
SCHEMBL15081975 0.86 TSHR (0.66) HTTTSHR
SCHEMBL15084364 0.85 GAA (0.60) GAAMAPTHTTROCK2ROCK1
SCHEMBL807582 0.81 GAA (0.56) GAAMAPTHTTROCK2ROCK1
SCHEMBL15081995 0.79 ALDH1A1 (0.56) GAAMAPTHTTTSHR
SCHEMBL13754467 0.79 CACNA1B (0.66) GAAMAPTHTTROCK2ROCK1
SCHEMBL14193581 0.77 ROCK2 (0.57) GAAMAPTHTTROCK2ROCK1
SCHEMBL14193590 0.77 ROCK2 (0.57) GAAMAPTHTTROCK2ROCK1
SCHEMBL19368224 0.76 CHRNB2 (0.60) MAPTHTTROCK2ROCK1CCR2
SCHEMBL14193591 0.75 PRKD3 (0.56) GAAMAPTHTTROCK2ROCK1

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 GAA 2994/4885MAPT 3007/4885HTT 4850/4885

“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.