SCHEMBL2806156

SCHEMBL2806156

CC(C)(C)c1ccc(NC(=O)NC2CCc3c(cnc4[nH]ncc34)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
EPHX1 P07099 1/20 0.49
PAK1 Q13153 6/20 0.48
TRPV1 Q8NER1 7/20 0.47
FLT3 P36888 2/20 0.44
LMNA P02545 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
PAK3 O75914 1/20 0.40
PAK2 Q13177 1/20 0.40
CXCR3 P49682 1/20 0.40
NAMPT P43490 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
SCHEMBL2488057 0.87 FLT3 (0.46) EPHX2EPHX1PAK1TRPV1FLT3
SCHEMBL2804122 0.86 EPHX1 (0.49) EPHX1PAK1TRPV1FLT3PAK3
SCHEMBL2802669 0.86 EPHX2 (0.50) EPHX2PAK1FLT3NAMPT
SCHEMBL2803861 0.85 RAB9A (0.53) PAK1FLT3LMNA
SCHEMBL2808096 0.83 FLT3 (0.54) EPHX2EPHX1PAK1FLT3CXCR3
SCHEMBL2805036 0.83 FLT3 (0.44) PAK1FLT3LMNA
SCHEMBL2803936 0.82 LMNA (0.46) EPHX2PAK1FLT3LMNACXCR3
SCHEMBL2808069 0.81 EPHX2 (0.53) EPHX2PAK1TRPV1FLT3PAK3
SCHEMBL12338144 0.81 PAK1 (0.37) PAK1TRPV1FLT3
SCHEMBL2802422 0.80 PAK1 (0.42) PAK1FLT3PAK3PAK2

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 EPHX2 2353/4885EPHX1 1292/4885PAK1 717/4885

“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.