SCHEMBL2809304

SCHEMBL2809304

O=C(Nc1cccc(Oc2ccccc2)c1)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
FLT3 P36888 11/20 0.45
PAK1 Q13153 1/20 0.44
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL2808096 0.92 FLT3 (0.54) FLT3PAK1EPHX1EPHX2
SCHEMBL2488057 0.89 FLT3 (0.46) FLT3PAK1EPHX1EPHX2RAB9A
SCHEMBL2804565 0.87 PAK1 (0.42) FLT3PAK1
SCHEMBL2803936 0.85 LMNA (0.46) MAPTFLT3PAK1EPHX2NPC1
SCHEMBL2808069 0.83 EPHX2 (0.53) MAPTFLT3PAK1EPHX2MEN1
SCHEMBL2805036 0.81 FLT3 (0.44) MAPTFLT3PAK1NPC1RAB9A
SCHEMBL2807991 0.81 CYP1A2 (0.42) MAPK1FLT3PAK1NPC1RAB9A
SCHEMBL2803861 0.79 RAB9A (0.53) MAPTFLT3PAK1NPC1RAB9A
SCHEMBL2804446 0.79 PAK1 (0.59) ALDH1A1PAK1EPHX1
SCHEMBL2806785 0.79 PAK1 (0.44) FLT3PAK1

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 USP30 4053/4885MAPT 3332/4885ALDH1A1 460/4885

“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.