SCHEMBL2803144

SCHEMBL2803144

c1nc(N2CCc3c(cnc4[nH]ncc34)C2)c2cc[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.53
JAK3 P52333 6/20 0.51
HTR2C P28335 1/20 0.49
AKT2 P31751 5/20 0.47
GSK3B P49841 2/20 0.47
KIT P10721 2/20 0.47
LCK P06239 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
DOT1L Q8TEK3 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL2804800 0.90 AKT2 (0.54) AKT1AKT2LMNAMAPTHTT
SCHEMBL2806079 0.76 AKT2 (0.39) JAK3AKT2LMNAMAPTJAK2
SCHEMBL2805375 0.75 RET (0.41) AKT2LMNAMAPTHTT
SCHEMBL13273779 0.75 AKT2 (0.46) AKT1AKT2LMNAMAPTHTT
SCHEMBL2488891 0.74 BTK (0.44) AKT1LMNAMAPT
Hydrochloric Acid SCHEMBL2486185 0.74 LMNA (0.51) HTR2CLMNAMAPTHTT
SCHEMBL12316002 0.74 PIK3CD (0.39) AKT1JAK3AKT2LMNAMAPT
SCHEMBL2802522 0.73 HRH4 (0.34) JAK3AKT2LMNAMAPTJAK2
SCHEMBL21226645 0.73 AKT1 (0.64) AKT1JAK3HTR2CAKT2GSK3B
SCHEMBL2806633 0.73 RET (0.38) JAK3HTR2CAKT2LMNAMAPT

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 1553/4885JAK3 1258/4885HTR2C 614/4885

“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.