SCHEMBL1031964

SCHEMBL1031964

CCOc1ncc(-c2cccc(-c3cc4cccc(Cl)c4c(=O)n3Cc3ccc(F)cc3F)c2)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
CNR1 P21554 1/20 0.37
MAPK14 Q16539 4/20 0.37
GRM2 Q14416 1/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
RIPK3 Q9Y572 3/20 0.35
KCNK3 O14649 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL1034889 0.89 RXRA (0.46) RXRANR1H2NR1H3CNR1MAPK14
SCHEMBL1034912 0.84 GRM2 (0.39) RXRANR1H2NR1H3MAPK14GRM2
SCHEMBL1031791 0.82 MAPK14 (0.38) RXRANR1H2NR1H3MAPK14GRM2
SCHEMBL1031634 0.78 RXRA (0.49) RXRANR1H2NR1H3CNR1MAPK14
SCHEMBL1031486 0.76 NR1H2 (0.45) RXRANR1H2NR1H3KCNK3
SCHEMBL6185470 0.76 PTGER1 (0.37) RXRANR1H2NR1H3MAPK14GRIN1
SCHEMBL1034887 0.75 RXRA (0.41) RXRANR1H2NR1H3MAPK14GRIN1
SCHEMBL1032287 0.75 RXRA (0.43) RXRANR1H2NR1H3MAPK14GRM2
SCHEMBL6187391 0.73 RXRA (0.40) RXRANR1H2NR1H3GRIN1GRIN2B
SCHEMBL1033859 0.73 RXRA (0.42) RXRANR1H2NR1H3RIPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP claimed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US claimed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US claimed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP claimed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US claimed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 WO claimed
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP disclosed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US disclosed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US disclosed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 WO 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 (2 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-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents NR1H2, NR1H3, NR1I2 RXRA 25/4885NR1H2 1/4885NR1H3 2/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 RXRA 17/4885NR1H2 1/4885NR1H3 3/4885

“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.