SCHEMBL2802228

SCHEMBL2802228

CC(C)(C)c1ccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
RPS6KB1 P23443 3/20 0.36
PLK1 P53350 1/20 0.35
CCNA2 P20248 11/20 0.35
CDK2 P24941 11/20 0.35
CCNA1 P78396 10/20 0.35
AURKA O14965 5/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2803843 0.88 CCNA2 (0.42) RPS6KB1CCNA2CDK2LMNAMAPT
SCHEMBL2804059 0.83 DYRK1A (0.48) AKT1RPS6KB1AURKA
SCHEMBL2807050 0.82 TDO2 (0.48) RPS6KB1
SCHEMBL2802884 0.82 CDK2 (0.47) PLK1CCNA2CDK2CCNA1AURKA
SCHEMBL2805133 0.80 RPS6KB1 (0.52) RPS6KB1
SCHEMBL2806333 0.80 RPS6KB1 (0.54) RPS6KB1CCNA2CDK2CCNA1AURKA
SCHEMBL2486661 0.79 CCNA2 (0.38) CCNA2CDK2AURKA
SCHEMBL2806925 0.79 RPS6KB1 (0.39) RPS6KB1CCNA2CDK2LMNAMAPT
SCHEMBL2805552 0.78 CCNA2 (0.44) CCNA2CDK2CCNA1AURKAMEN1
SCHEMBL2803917 0.78 ALDH1A1 (0.42) RPS6KB1CCNA2CDK2LMNAHTT

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 AKT1 1553/4885AKT2 759/4885RPS6KB1 1992/4885

“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.