Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804038

SCHEMBL2804038

SCHEMBL2804038

CN(C)[C@@H]1CCN(C(=O)c2cccc(NC(=O)N3CCc4c(cnc5[nH]ncc45)C3)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.45
▸ PAK1 Q13153 7/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.41
▸ CBLB Q13191 2/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ PRKACG P22612 2/20 0.39
▸ PRKACB P22694 2/20 0.39
▸ LIMK1 P53667 2/20 0.39
▸ LIMK2 P53671 2/20 0.39
▸ DDR1 Q08345 2/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 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
SCHEMBL2808230 0.89 PAK1 (0.46) ATRPAK1NPC1RAB9AROCK2
SCHEMBL2487956 0.86 NPC1 (0.48) ATRPAK1NPC1RAB9A
SCHEMBL2807727 0.85 PAK1 (0.46) ATRPAK1NPC1RAB9AROCK2
SCHEMBL2802904 0.84 RAB9A (0.46) PAK1NPC1RAB9A
SCHEMBL2806850 0.84 RAB9A (0.60) PAK1NPC1RAB9A
SCHEMBL2803450 0.84 PAK1 (0.42) PAK1NPC1RAB9APIK3CAPIK3CB
SCHEMBL2486314 0.83 NAMPT (0.46) PAK1NPC1RAB9AROCK2PRKACA
SCHEMBL2487737 0.83 NPC1 (0.49) PAK1NPC1RAB9A
SCHEMBL2805396 0.82 NPC1 (0.44) ATRPAK1NPC1RAB9AROCK2
SCHEMBL2487747 0.82 NAMPT (0.50) PAK1NPC1RAB9A

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 ATR 3049/4885PAK1 717/4885NPC1 205/4885

“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.