Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804059

SCHEMBL2804059

SCHEMBL2804059

Clc1ccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 8/20 0.48
▸ CLK4 Q9HAZ1 8/20 0.48
▸ CLK2 P49760 7/20 0.48
▸ CLK1 P49759 6/20 0.48
▸ DYRK1B Q9Y463 6/20 0.48
▸ CLK3 P49761 2/20 0.48
▸ MAOB P27338 1/20 0.39
▸ RPS6KB1 P23443 5/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 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
SCHEMBL2803843 0.89 CCNA2 (0.42) MAOBRPS6KB1MAPK1
SCHEMBL2805133 0.83 RPS6KB1 (0.52) DYRK1ACLK1RPS6KB1MAPK1TGFBR1
SCHEMBL2803917 0.83 ALDH1A1 (0.42) DYRK1ACLK2RPS6KB1ROCK2PRKACA
SCHEMBL2802228 0.83 AKT1 (0.38) RPS6KB1AURKAAKT1
SCHEMBL2807050 0.81 TDO2 (0.48) DYRK1ACLK1RPS6KB1ROCK2
SCHEMBL2806333 0.81 RPS6KB1 (0.54) RPS6KB1ROCK2AURKACDK5ROCK1
SCHEMBL2802884 0.81 CDK2 (0.47) DYRK1ACLK4CLK2CLK1DYRK1B
SCHEMBL2805136 0.80 LCK (0.41) RPS6KB1MAPK1ALDH1A1
SCHEMBL2802889 0.79 RPS6KB1 (0.43) MAOBRPS6KB1ROCK2ROCK1
SCHEMBL2806925 0.78 RPS6KB1 (0.39) RPS6KB1

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 7 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
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

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 DYRK1A 3030/4885CLK4 2378/4885CLK2 2107/4885

“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.