SCHEMBL824710

SCHEMBL824710

CC#CCOC(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
AGPAT2 O15120 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KIT P10721 1/20 0.38
ROCK2 O75116 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PTPRC P08575 1/20 0.35
MAPK14 Q16539 1/20 0.35
BRD4 O60885 1/20 0.34
P2RY1 P47900 1/20 0.34
BLM P54132 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL824611 0.89 KIT (0.42) FFAR1KDM4EMEN1KMT2AMAPT
SCHEMBL824672 0.87 HPGD (0.41) FFAR1AGPAT2KDM4EMAPTKIT
SCHEMBL824799 0.86 SMN1; SMN2 (0.42) FFAR1KITROCK2PIK3C3ALDH1A1
SCHEMBL824719 0.86 FFAR1 (0.41) FFAR1KDM4EMAPTKITROCK2
SCHEMBL824812 0.86 FFAR1 (0.40) FFAR1AGPAT2KITROCK2PIK3C3
SCHEMBL824707 0.85 ROCK2 (0.53) FFAR1MAPTROCK2ALDH1A1TSHR
SCHEMBL824743 0.85 RAB9A (0.40) FFAR1KDM4EMAPTKITALDH1A1
SCHEMBL824708 0.84 FFAR1 (0.39) FFAR1AGPAT2KDM4EMEN1KMT2A
SCHEMBL824718 0.84 FFAR1 (0.39) FFAR1MAPTKITROCK2PIK3C3
SCHEMBL824746 0.84 RAF1 (0.37) FFAR1AGPAT2KDM4EMAPTKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 FFAR1 452/4885AGPAT2 2381/4885KDM4E 2949/4885

“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.