Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802422

SCHEMBL2802422

SCHEMBL2802422

O=C(Nc1ccc2c(c1)CCO2)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 7/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ AKT1 P31749 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 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
SCHEMBL2805036 0.85 FLT3 (0.44) PAK1NPC1RAB9ATP53NFKB1
SCHEMBL2803936 0.83 LMNA (0.46) PAK1NPC1RAB9AFLT3
SCHEMBL2488057 0.82 FLT3 (0.46) PAK1RAB9ASMN1; SMN2FLT3
SCHEMBL2807991 0.81 CYP1A2 (0.42) PAK1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2806156 0.80 EPHX2 (0.49) PAK1FLT3PAK3PAK2
SCHEMBL2804122 0.80 EPHX1 (0.49) PAK1FLT3MAPK1PAK3PAK2
SCHEMBL2802669 0.79 EPHX2 (0.50) PAK1NPC1SMN1; SMN2FLT3MAPK1
SCHEMBL2808069 0.79 EPHX2 (0.53) PAK1FLT3PAK3PAK2
SCHEMBL2803861 0.78 RAB9A (0.53) PAK1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2808096 0.78 FLT3 (0.54) PAK1CA12CA1CA2CA9

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 PAK1 717/4885NPC1 205/4885RAB9A 1240/4885

“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.