SCHEMBL2431841

SCHEMBL2431841

COc1ccc(-c2[nH]c(=O)c3cc(OC)ccc3c2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TNKS2 Q9H2K2 2/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
HSD17B10 Q99714 3/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SERPINE1 P05121 1/20 0.44
TYMS P04818 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL14867283 0.93 KDM4E (0.50) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12323930 0.92 SERPINE1 (0.51) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12323935 0.87 PARP1 (0.57) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12324316 0.84 MAPK13 (0.50) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12324329 0.84 KDM4E (0.48) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12323816 0.84 SERPINE1 (0.62) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL14871604 0.84 KDM4E (0.49) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12323809 0.82 KDM4E (0.47) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12324324 0.82 MAOB (0.51) PARP1KDM4EALDH1A1NPC1HPGD
SCHEMBL12324330 0.80 KDM4E (0.48) PARP1KDM4EALDH1A1NPC1HPGD

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
EP-2542239-B1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2015-11-11 EP disclosed
EP-2542239-B1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2015-11-11 EP disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
EP-2542239-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2013-01-09 EP disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 WO disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 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 (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-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA PARP1 551/4885KDM4E 1796/4885ALDH1A1 2507/4885

“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.