SCHEMBL2806850

SCHEMBL2806850

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
NPC1 O15118 7/20 0.60
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PAK1 Q13153 1/20 0.46
PDGFRB P09619 3/20 0.44
KDR P35968 3/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL2487737 0.92 NPC1 (0.49) RAB9ANPC1SMN1; SMN2PAK1PDGFRB
SCHEMBL2487449 0.92 NPC1 (0.50) RAB9ANPC1PAK1PDGFRBKDR
SCHEMBL2487956 0.91 NPC1 (0.48) RAB9ANPC1PAK1PDGFRBKDR
SCHEMBL2488604 0.91 BRAF (0.52) RAB9ANPC1SMN1; SMN2PAK1PDGFRB
SCHEMBL2805561 0.89 KDR (0.51) RAB9ANPC1SMN1; SMN2PAK1PDGFRB
SCHEMBL2802904 0.89 RAB9A (0.46) RAB9ANPC1PAK1PDGFRBKDR
SCHEMBL2488531 0.89 MEN1 (0.50) RAB9ANPC1SMN1; SMN2PDGFRBKDR
SCHEMBL2483703 0.88 NPC1 (0.46) RAB9ANPC1PAK1PDGFRBKDR
SCHEMBL2803952 0.87 TRPV1 (0.56) RAB9ANPC1MAPK1SMN1; SMN2PAK1
SCHEMBL2805002 0.87 PAK1 (0.60) RAB9ANPC1SMN1; SMN2PAK1LMNA

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 RAB9A 1240/4885NPC1 205/4885MAPK1 3253/4885

“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.