SCHEMBL824920

SCHEMBL824920

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N(CCO)CCO)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.46
FFAR1 O14842 1/20 0.42
PDE10A Q9Y233 1/20 0.41
C1R P00736 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
BACE1 P56817 1/20 0.34
KIT P10721 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
SCHEMBL824666 0.90 PDE10A (0.41) ARFFAR1PDE10AC1RKDM4E
SCHEMBL827287 0.89 FFAR1 (0.43) ARFFAR1PDE10AC1RKDM4E
SCHEMBL824929 0.84 FFAR1 (0.45) ARFFAR1PDE10AKDM4EALDH1A1
SCHEMBL827900 0.82 FFAR1 (0.43) ARFFAR1PDE10AC1RKDM4E
SCHEMBL824762 0.82 PDE10A (0.40) ARFFAR1PDE10AC1RKDM4E
SCHEMBL827978 0.81 FFAR1 (0.42) ARFFAR1PDE10AC1RKDM4E
SCHEMBL824665 0.81 TNKS (0.44) ARKDM4EALDH1A1MEN1HPGD
SCHEMBL824749 0.81 FFAR1 (0.39) ARFFAR1PDE10AKDM4EALDH1A1
SCHEMBL826952 0.81 FFAR1 (0.46) ARFFAR1PDE10AC1RKDM4E
SCHEMBL826935 0.81 FFAR1 (0.44) ARFFAR1PDE10AC1RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
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-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
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 AR 254/4885FFAR1 452/4885PDE10A 3212/4885

“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.