Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806633

SCHEMBL2806633

SCHEMBL2806633

Nc1nc(N)nc(N2CCc3c(cnc4[nH]ncc34)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ AKT2 P31751 2/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ HTR2A P28223 4/20 0.33
▸ HTR2C P28335 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ JAK2 O60674 1/20 0.32

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
SCHEMBL12316009 0.92 HRH4 (0.42) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2806079 0.85 AKT2 (0.39) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2803286 0.82 CRHBP (0.43) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2802522 0.80 HRH4 (0.34) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2804800 0.80 AKT2 (0.54) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2805375 0.77 RET (0.41) RETPI4KAXDHLRRK2PI4K2B
Hydrochloric Acid SCHEMBL2486185 0.76 LMNA (0.51) LMNAMAPTHTR2AHTR2CPIK3CD
Hydrochloric Acid SCHEMBL2486096 0.73 XDH (0.37) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL12316002 0.73 PIK3CD (0.39) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2803144 0.73 AKT1 (0.53) AKT2LMNAMAPTHTR2CJAK2

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 RET 1847/4885PI4KA 1051/4885XDH 872/4885

“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.