SCHEMBL1031501

SCHEMBL1031501

Cc1ccc2cc(-c3ccccc3)n(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK8 P45983 1/20 0.52
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DHFR P00374 2/20 0.49
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
ADORA1 P30542 1/20 0.45
MIF P14174 2/20 0.45
CD74 P04233 1/20 0.45

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
SCHEMBL1034939 0.96 ALDH1A1 (0.51) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL1034229 0.94 TP53 (0.50) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL1034066 0.89 KMT2A (0.48) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL1030913 0.89 CNR1 (0.53) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL1034629 0.87 ALDH1A1 (0.44) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL1033487 0.86 ALDH1A1 (0.55) CNR1ALDH1A1KMT2AMEN1LMNA
SCHEMBL1031466 0.86 BCL2 (0.43) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL1032971 0.86 ALDH1A1 (0.47) CNR1ALDH1A1KMT2AMEN1MAPK8
SCHEMBL16625059 0.85 TP53 (0.52) ALDH1A1KMT2AMEN1MAPK8LMNA
SCHEMBL1033970 0.85 ALDH1A1 (0.51) CNR1ALDH1A1KMT2AMEN1MAPK8

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 CNR1 78/4885ALDH1A1 601/4885KMT2A 3097/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 CNR1 125/4885ALDH1A1 415/4885KMT2A 3367/4885

“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.