Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805133

SCHEMBL2805133

SCHEMBL2805133

Fc1cccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 6/20 0.52
▸ PLK4 O00444 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ APP P05067 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ NTRK1 P04629 3/20 0.37
▸ PRKCQ Q04759 1/20 0.36

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
SCHEMBL2807050 0.88 TDO2 (0.48) RPS6KB1APPCLK1DYRK1AHTR2C
SCHEMBL2806333 0.86 RPS6KB1 (0.54) RPS6KB1CYP1A2NTRK1PRKCQ
SCHEMBL2802884 0.84 CDK2 (0.47) CLK1DYRK1ACYP2C19
SCHEMBL2804059 0.83 DYRK1A (0.48) RPS6KB1MAPK1CLK1DYRK1ATGFBR1
SCHEMBL2803843 0.82 CCNA2 (0.42) RPS6KB1PLK4PAK4MAPK1GRM5
SCHEMBL2806925 0.81 RPS6KB1 (0.39) RPS6KB1PLK4PAK4HTR2CHTR2A
SCHEMBL2805136 0.81 LCK (0.41) RPS6KB1MAPK1
SCHEMBL2802889 0.80 RPS6KB1 (0.43) RPS6KB1PLK4PAK4HTR2CHTR2B
SCHEMBL2802228 0.80 AKT1 (0.38) RPS6KB1
SCHEMBL2804807 0.79 SLC29A1 (0.42) RPS6KB1HTR2CPRKCQ

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 RPS6KB1 1992/4885PLK4 752/4885PAK4 747/4885

“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.