Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804033

SCHEMBL2804033

SCHEMBL2804033

Cn1cncc1CNC(=O)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ITK Q08881 5/20 0.40
▸ INSR P06213 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ NAMPT P43490 4/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ PDGFRB P09619 4/20 0.39
▸ KDR P35968 4/20 0.39
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ ROCK2 O75116 2/20 0.37

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
SCHEMBL2803068 0.93 PRMT5 (0.44) NPC1RAB9ANAMPTPAK1PDGFRB
SCHEMBL2803726 0.86 NAMPT (0.50) NPC1RAB9ANAMPTPDGFRBKDR
SCHEMBL2486603 0.86 TP53 (0.47) NPC1RAB9ANAMPTPDGFRBKDR
SCHEMBL2483703 0.85 NPC1 (0.46) NPC1RAB9ANAMPTPAK1PDGFRB
SCHEMBL2483910 0.85 NAMPT (0.51) NAMPTPDGFRBKDRROCK2
SCHEMBL2802876 0.85 PAK1 (0.48) NPC1RAB9ANAMPTPAK1PDGFRB
SCHEMBL2804475 0.85 TP53 (0.46) NPC1RAB9ANAMPTPAK1PDGFRB
SCHEMBL2490140 0.84 NAMPT (0.53) NPC1RAB9ANAMPTPDGFRBKDR
SCHEMBL2804114 0.84 NAMPT (0.47) NPC1RAB9ANAMPTPAK1PDGFRB
SCHEMBL2806850 0.84 RAB9A (0.60) NPC1RAB9APAK1PDGFRBKDR

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 NPC1 205/4885RAB9A 1240/4885ITK 1960/4885

“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.