SCHEMBL1032967

SCHEMBL1032967

COC(=O)c1ccc(-c2cc3ccccc3c(=O)n2Cc2ccc(C)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MAPK8 P45983 2/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
TNKS O95271 1/20 0.38
GRIN2B Q13224 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL1032985 0.85 ALDH1A1 (0.49) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1032774 0.85 BCL2 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1034168 0.85 BCL2 (0.43) MAPTTHRBALDH1A1SMN1; SMN2MEN1
SCHEMBL1034742 0.84 TP53 (0.46) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL1033579 0.83 MEN1 (0.38) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1031083 0.83 ALDH1A1 (0.42) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1032298 0.82 RXRA (0.43) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1030660 0.82 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL1032101 0.81 MEN1 (0.39) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1034655 0.81 BCL2 (0.44) MAPTTHRBALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3746/4885MAPK8 2196/4885THRB 325/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 MAPT 3386/4885MAPK8 2249/4885THRB 430/4885

“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.