SCHEMBL2802669

SCHEMBL2802669

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PAK1 Q13153 6/20 0.47
FLT3 P36888 1/20 0.46
MAPT P10636 2/20 0.42
ABL1 P00519 1/20 0.42
HTT P42858 1/20 0.42
RIN1 Q13671 1/20 0.42
FAAH O00519 1/20 0.41
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 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
SCHEMBL2488057 0.86 FLT3 (0.46) EPHX2SMN1; SMN2PAK1FLT3NAMPT
SCHEMBL2803861 0.86 RAB9A (0.53) NPC1SMN1; SMN2PAK1FLT3MAPT
SCHEMBL2804122 0.86 EPHX1 (0.49) PAK1FLT3NAMPTMAPK1
SCHEMBL2806156 0.86 EPHX2 (0.49) EPHX2PAK1FLT3NAMPT
SCHEMBL2808096 0.84 FLT3 (0.54) EPHX2PAK1FLT3
SCHEMBL2805036 0.82 FLT3 (0.44) NPC1SMN1; SMN2PAK1FLT3MAPT
SCHEMBL2803936 0.81 LMNA (0.46) EPHX2NPC1PAK1FLT3MAPT
SCHEMBL12338144 0.81 PAK1 (0.37) PAK1FLT3MAPK1
SCHEMBL2802422 0.79 PAK1 (0.42) NPC1SMN1; SMN2PAK1FLT3MAPK1
SCHEMBL2809304 0.78 USP30 (0.49) EPHX2ALDH1A1NPC1PAK1FLT3

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 2353/4885ALDH1A1 460/4885NPC1 205/4885

“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.