SCHEMBL2803936

SCHEMBL2803936

O=C(Nc1ccc2ccccc2c1)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CXCR3 P49682 5/20 0.44
FLT3 P36888 1/20 0.44
EPHX2 P34913 1/20 0.43
PAK1 Q13153 7/20 0.43
MKNK1 Q9BUB5 1/20 0.41
CYP2D6 P10635 1/20 0.41
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
RPS6KB1 P23443 1/20 0.39
RPS6KA1 Q15418 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 0.88 FLT3 (0.46) FLT3EPHX2PAK1RAB9A
SCHEMBL2808096 0.86 FLT3 (0.54) CXCR3FLT3EPHX2PAK1
SCHEMBL2805036 0.86 FLT3 (0.44) LMNAFLT3PAK1CYP2D6NPC1
SCHEMBL2807991 0.85 CYP1A2 (0.42) LMNAFLT3PAK1NPC1RAB9A
SCHEMBL2809304 0.85 USP30 (0.49) FLT3EPHX2PAK1NPC1MAPT
SCHEMBL2804446 0.84 PAK1 (0.59) PAK1
SCHEMBL2802422 0.83 PAK1 (0.42) FLT3PAK1NPC1RAB9A
SCHEMBL2808069 0.83 EPHX2 (0.53) FLT3EPHX2PAK1MAPT
SCHEMBL2803861 0.82 RAB9A (0.53) LMNAFLT3PAK1NPC1MAPT
SCHEMBL2804122 0.82 EPHX1 (0.49) 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 LMNA 1591/4885CXCR3 1145/4885FLT3 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.