SCHEMBL3545250

SCHEMBL3545250

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(NC[C@H](O)CCO)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
AR P10275 8/20 0.38
FFAR1 O14842 1/20 0.38
KIT P10721 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ATG4B Q9Y4P1 2/20 0.32
PTPRC P08575 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
C1R P00736 1/20 0.32

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
SCHEMBL3542307 1.00 PDE10A (0.39) PDE10AARFFAR1KITGRIN1
SCHEMBL3545247 1.00 PDE10A (0.39) PDE10AARFFAR1KITGRIN1
SCHEMBL824735 0.92 PDE10A (0.40) PDE10AARFFAR1KITPTPRC
SCHEMBL824951 0.92 PDE10A (0.40) PDE10AARFFAR1KITPTPRC
SCHEMBL827517 0.92 PDE10A (0.40) PDE10AARFFAR1KITPTPRC
SCHEMBL3542337 0.87 PDE10A (0.39) PDE10AARFFAR1KITPTPRC
SCHEMBL824921 0.87 FFAR1 (0.42) PDE10AARFFAR1KITSTK10
SCHEMBL828155 0.85 FFAR1 (0.41) PDE10AARFFAR1KITSTK10
SCHEMBL3540962 0.84 FFAR1 (0.38) PDE10AARFFAR1KITPTPRC
SCHEMBL3540966 0.84 FFAR1 (0.38) PDE10AARFFAR1KITPTPRC

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
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 PDE10A 3478/4885AR 550/4885FFAR1 3537/4885

“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.