Sugi Predict

Sugi Predict / Compounds / SCHEMBL3540962

SCHEMBL3540962

SCHEMBL3540962

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(NC[C@@H](O)COCc3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.38
▸ CASR P41180 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ AR P10275 3/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ TLR4 O00206 1/20 0.35
▸ KIT P10721 1/20 0.33
▸ STK10 O94804 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL3540966 1.00 FFAR1 (0.38) FFAR1CASRMAPK1PDE10AAR
SCHEMBL824958 0.88 PDE10A (0.36) FFAR1CASRPDE10AARKIT
SCHEMBL828206 0.88 PDE10A (0.36) FFAR1CASRPDE10AARKIT
SCHEMBL824951 0.85 PDE10A (0.40) FFAR1MAPK1PDE10AARKIT
SCHEMBL824735 0.85 PDE10A (0.40) FFAR1MAPK1PDE10AARKIT
SCHEMBL827517 0.85 PDE10A (0.40) FFAR1MAPK1PDE10AARKIT
SCHEMBL3542307 0.84 PDE10A (0.39) FFAR1PDE10AARKITSTK10
SCHEMBL3545247 0.84 PDE10A (0.39) FFAR1PDE10AARKITSTK10
SCHEMBL3545250 0.84 PDE10A (0.39) FFAR1PDE10AARKITSTK10
SCHEMBL824966 0.83 ROCK2 (0.40) FFAR1PDE10AKITPTPRCPTPN1

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 10 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
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-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 — — US 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
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 — — 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
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 FFAR1 3537/4885CASR 4779/4885MAPK1 1639/4885

“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.