SCHEMBL1536491

SCHEMBL1536491

COc1ccc2c(=O)[nH]cc(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ROCK1 Q13464 3/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
KDM4E B2RXH2 8/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 3/20 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
SCHEMBL1536476 0.93 CDK4 (0.43) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL1536508 0.81 PARP15 (0.48) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL4008690 0.81 ROCK1 (0.54) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL28803206 0.80 PARP15 (0.47) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL31308890 0.80 PARP15 (0.47) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL13830549 0.80 PARP15 (0.47) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL13728289 0.80 PARP15 (0.47) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL24915834 0.78 HTR2A (0.47) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL25003205 0.78 PARP15 (0.44) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL13729156 0.78 PARP15 (0.44) PARP15PARP14PARP10TNKS2PARP2

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102415-A1 ISOQUINOLINE DERIVATIVES FOR USE IN TREATING GLUT1 DEFICIENCY SYNDROME GLIAPHARM SA (CH) 2023-03-30 US disclosed
WO-2021136763-A1 ISOQUINOLINE DERIVATIVES FOR USE IN TREATING GLUT1 DEFICIENCY SYNDROME GLIAPHARM SA (CH) 2021-07-08 WO disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-1629000-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
US-20050267040-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
WO-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 WO disclosed
WO-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 WO disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (3 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-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS PARP15 3556/4885PARP14 3763/4885PARP10 2817/4885
US-20230102415-A1 ISOQUINOLINE DERIVATIVES FOR USE IN TREATING GLUT1 DEFICIENCY SYNDROME SLC2A1, SLC2A2, SLC2A3 PARP15 2295/4885PARP14 2840/4885PARP10 2470/4885
US-20050267040-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, CTRB1 PARP15 3988/4885PARP14 4147/4885PARP10 3647/4885

“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.