Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806333

SCHEMBL2806333

SCHEMBL2806333

COc1cccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.54
▸ CCNA2 P20248 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CCNA1 P78396 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ IGF1R P08069 3/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ ROCK2 O75116 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ROCK1 Q13464 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39

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 0.83 TDO2 (0.48) RPS6KB1IGF1RROCK2EGFR
SCHEMBL2802884 0.82 CDK2 (0.47) CCNA2CDK2CCNA1AURKAIGF1R
SCHEMBL2804059 0.81 DYRK1A (0.48) RPS6KB1AURKACDK5ROCK2ALDH1A1
SCHEMBL2802228 0.80 AKT1 (0.38) RPS6KB1CCNA2CDK2CCNA1AURKA
SCHEMBL2803843 0.79 CCNA2 (0.42) RPS6KB1CCNA2CDK2IGF1RNTRK1
SCHEMBL2806420 0.79 CDK2 (0.39) RPS6KB1CCNA2CDK2KDM4EALDH1A1
SCHEMBL2802889 0.78 RPS6KB1 (0.43) RPS6KB1CCNA2CDK2IGF1RROCK2
SCHEMBL2803917 0.76 ALDH1A1 (0.42) RPS6KB1CCNA2CDK2IGF1RNTRK1
SCHEMBL2486661 0.75 CCNA2 (0.38) CCNA2CDK2AURKA
SCHEMBL2487665 0.74 KDM4E (0.51) KDM4EALDH1A1MAPTHSD17B10CYP1A2

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 1992/4885CCNA2 306/4885CDK2 46/4885

“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.