SCHEMBL2804122

SCHEMBL2804122

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
PAK1 Q13153 9/20 0.46
FLT3 P36888 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
MAPK1 P28482 1/20 0.38
KIT P10721 3/20 0.37
PDGFRA P16234 3/20 0.37
NAMPT P43490 1/20 0.37
KDR P35968 2/20 0.37
PAK3 O75914 1/20 0.36
PAK2 Q13177 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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) EPHX1PAK1FLT3TRPV1NAMPT
SCHEMBL2806156 0.86 EPHX2 (0.49) EPHX1PAK1FLT3TRPV1NAMPT
SCHEMBL2802669 0.86 EPHX2 (0.50) PAK1FLT3MAPK1NAMPT
SCHEMBL2803861 0.85 RAB9A (0.53) PAK1FLT3
SCHEMBL2808096 0.83 FLT3 (0.54) EPHX1PAK1FLT3
SCHEMBL2805036 0.83 FLT3 (0.44) PAK1FLT3
SCHEMBL2803936 0.82 LMNA (0.46) PAK1FLT3
SCHEMBL12338144 0.81 PAK1 (0.37) PAK1FLT3TRPV1MAPK1
SCHEMBL2802422 0.80 PAK1 (0.42) PAK1FLT3MAPK1PAK3PAK2
SCHEMBL2807991 0.79 CYP1A2 (0.42) PAK1FLT3MAPK1KITPDGFRA

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 EPHX1 1292/4885PAK1 717/4885FLT3 1163/4885

“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.