SCHEMBL2806079

SCHEMBL2806079

Nc1nc(N2CCc3c(cnc4[nH]ncc34)C2)c2cn[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
RET P07949 1/20 0.36
PI4KA P42356 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CDK2 P24941 1/20 0.36
HTT P42858 1/20 0.35
HRH4 Q9H3N8 3/20 0.34
RPS6KB1 P23443 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL2802522 0.87 HRH4 (0.34) AKT2LMNAMAPTJAK2JAK1
SCHEMBL2806633 0.85 RET (0.38) AKT2LMNAMAPTJAK2JAK1
SCHEMBL2804800 0.85 AKT2 (0.54) AKT2LMNAMAPTRETPI4KA
SCHEMBL12316009 0.81 HRH4 (0.42) AKT2LMNAMAPTJAK2JAK1
SCHEMBL2803286 0.80 CRHBP (0.43) MAPTRETPI4KAXDHLRRK2
SCHEMBL2803144 0.76 AKT1 (0.53) AKT2LMNAMAPTJAK2JAK1
SCHEMBL2805375 0.75 RET (0.41) AKT2LMNAMAPTRETPI4KA
Hydrochloric Acid SCHEMBL2486185 0.74 LMNA (0.51) LMNAMAPTHTTRPS6KB1CHEK1
SCHEMBL19414394 0.74 HRH4 (0.56) HRH4
SCHEMBL13273779 0.73 AKT2 (0.46) AKT2LMNAMAPTRETPI4KA

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 AKT2 759/4885LMNA 1591/4885MAPT 3332/4885

“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.