Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805136

SCHEMBL2805136

SCHEMBL2805136

Fc1cccc(Cl)c1CNc1ncc2c(n1)CCc1cnc3[nH]ncc3c1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 8/20 0.41
▸ BTK Q06187 8/20 0.41
▸ MAPK14 Q16539 5/20 0.41
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ FYN P06241 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ BMX P51813 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2803917 0.84 ALDH1A1 (0.42) RPS6KB1CCNA2CDK2ALDH1A1
SCHEMBL2805133 0.81 RPS6KB1 (0.52) RPS6KB1MAPK1
SCHEMBL2803843 0.80 CCNA2 (0.42) MAPTRPS6KB1CCNA2CDK2MAPK1
SCHEMBL2804059 0.80 DYRK1A (0.48) RPS6KB1ALDH1A1MAPK1
SCHEMBL2805552 0.77 CCNA2 (0.44) KDM4ECCNA2CDK2MEN1ALDH1A1
SCHEMBL2807050 0.77 TDO2 (0.48) RPS6KB1
SCHEMBL2802889 0.77 RPS6KB1 (0.43) JAK3RPS6KB1CCNA2CDK2
SCHEMBL2802884 0.77 CDK2 (0.47) CCNA2CDK2
SCHEMBL2806925 0.76 RPS6KB1 (0.39) MAPTRPS6KB1CCNA2CDK2
SCHEMBL2806333 0.75 RPS6KB1 (0.54) MAPTJAK1JAK3RPS6KB1GAA

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 LCK 319/4885BTK 927/4885MAPK14 2455/4885

“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.