SCHEMBL807178

SCHEMBL807178

CC1CC(C(C)C)CN(Cc2c(F)cccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 10/20 0.43
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 2/20 0.36
CYP2A13 Q16696 1/20 0.35

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
SCHEMBL15081980 0.92 EED (0.48) EEDHRH4HRH3
SCHEMBL807398 0.91 CYP2A13 (0.48) EEDALDH1A1KDM4EPOLBTSHR
SCHEMBL15081999 0.89 MAPK1 (0.44) EEDMAPK1SMN1; SMN2
SCHEMBL15084365 0.86 HRH3 (0.51) EEDHRH4HRH3ALDH1A1KDM4E
SCHEMBL15082011 0.84 ALDH1A1 (0.45) EEDHRH4HRH3ALDH1A1KDM4E
SCHEMBL806905 0.84 ALDH1A1 (0.45) EEDHRH4HRH3ALDH1A1KDM4E
SCHEMBL807179 0.84 HRH3 (0.41) EEDHRH4HRH3ALDH1A1GAA
SCHEMBL15081969 0.83 EED (0.39) EEDALDH1A1KDM4EPOLBTSHR
SCHEMBL15081966 0.80 ALDH1A1 (0.41) EEDALDH1A1KDM4EPOLBTSHR
SCHEMBL15081941 0.79 KDM4E (0.45) EEDALDH1A1KDM4EPOLBTSHR

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 3 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
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 EED 1580/4885HRH4 2309/4885HRH3 2180/4885

“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.