SCHEMBL1035688

SCHEMBL1035688

Cc1ccc(Cn2c(-c3ccc(C#N)cc3)cc3ccccc3c2=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PDE9A O76083 1/20 0.38
PDE1C Q14123 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GAA P10253 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL1034168 0.88 BCL2 (0.43) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL1033579 0.86 MEN1 (0.38) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1031083 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1032774 0.86 BCL2 (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL1029196 0.85 GAA (0.43) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1030660 0.84 MEN1 (0.41) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1032101 0.84 MEN1 (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1032985 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL1034655 0.84 BCL2 (0.44) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL1032298 0.83 RXRA (0.43) ALDH1A1KDM4ELMNAKMT2AMEN1

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 ALDH1A1 601/4885KDM4E 3727/4885LMNA 1526/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 ALDH1A1 415/4885KDM4E 4119/4885LMNA 1596/4885

“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.