Sugi Predict

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SCHEMBL2485087

SCHEMBL2485087

CC(C)(C)OC(=O)N1CCc2c(cnc3[nH]nc(-c4cccc(C(N)=O)c4)c23)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ MAP2K4 P45985 3/20 0.41
▸ PARP14 Q460N5 1/20 0.40
▸ TTK P33981 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ UCHL1 P09936 1/20 0.40
▸ CRBN Q96SW2 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MKNK1 Q9BUB5 3/20 0.38
▸ SCN9A Q15858 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
SCHEMBL2487772 0.88 CKS1B (0.46) NR1H2PARP1TNKS2PARP2USP30
SCHEMBL2486503 0.86 MKNK1 (0.41) NR1H2TTKPARP1TNKS2PARP2
SCHEMBL2802667 0.85 NR1H2 (0.38) NR1H2PARP1TNKS2PARP2USP30
SCHEMBL2484168 0.84 NAMPT (0.39) NR1H2PARP1TNKS2PARP2USP30
SCHEMBL2487072 0.80 PARP1 (0.45) NR1H2PARP1TNKS2PARP2MAPT
SCHEMBL2487129 0.78 MAPT (0.46) NR1H2PARP1TNKS2PARP2MAPT
SCHEMBL2485090 0.77 MAP2K4 (0.43) NR1H2MAP2K4PARP14PARP1TNKS2
SCHEMBL2804970 0.76 MAP2K4 (0.47) MAP2K4TTKPARP1CSNK1DMAPK8
SCHEMBL1785437 0.74 ESR2 (0.61) NR1H2MAP2K4PARP14USP30UCHL1
SCHEMBL2483733 0.73 NAMPT (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 NR1H2 1229/4885MAP2K4 2656/4885PARP14 699/4885

“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.