SCHEMBL824611

SCHEMBL824611

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
KCNQ2 O43526 1/20 0.42
HSD17B10 Q99714 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
FFAR1 O14842 1/20 0.40
APAF1 O14727 1/20 0.40
CDC25B P30305 1/20 0.40
CASP6 P55212 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL824672 0.92 HPGD (0.41) KITLMNAMAPTMAPK1CASP3
SCHEMBL824743 0.90 RAB9A (0.40) KITLMNAMAPTMAPK1CASP3
SCHEMBL824799 0.90 SMN1; SMN2 (0.42) KITLMNAMAPK1FFAR1ALDH1A1
SCHEMBL824719 0.90 FFAR1 (0.41) KITLMNAMAPTFFAR1ALDH1A1
SCHEMBL824812 0.89 FFAR1 (0.40) KITFFAR1TDP1ROCK2
SCHEMBL824710 0.89 FFAR1 (0.40) KITKCNQ2LMNAMAPTFFAR1
SCHEMBL824744 0.89 KCNQ2 (0.41) KCNQ2HSD17B10LMNAMAPTMAPK1
SCHEMBL824707 0.89 ROCK2 (0.53) MAPTCASP3FFAR1ALDH1A1TSHR
SCHEMBL824708 0.88 FFAR1 (0.39) KITHSD17B10MAPK1FFAR1MEN1
SCHEMBL824746 0.87 RAF1 (0.37) KITLMNAMAPTMAPK1FFAR1

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 KIT 4832/4885KCNQ2 988/4885HSD17B10 182/4885

“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.