SCHEMBL2808069

SCHEMBL2808069

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
FLT3 P36888 2/20 0.50
KDR P35968 1/20 0.50
PAK1 Q13153 4/20 0.49
PAK3 O75914 1/20 0.49
PAK2 Q13177 1/20 0.49
KIT P10721 1/20 0.47
DCUN1D1 Q96GG9 6/20 0.47
UBE2M P61081 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
GRM5 P41594 1/20 0.43
GAA P10253 1/20 0.43
AHR P35869 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43

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) EPHX2FLT3PAK1TRPV1
SCHEMBL2804911 0.84 FLT3 (0.50) FLT3PAK1PAK3PAK2TRPV1
SCHEMBL2809304 0.83 USP30 (0.49) EPHX2FLT3KDRPAK1MEN1
SCHEMBL2803936 0.83 LMNA (0.46) EPHX2FLT3PAK1MAPT
SCHEMBL2806156 0.81 EPHX2 (0.49) EPHX2FLT3PAK1PAK3PAK2
SCHEMBL2805036 0.81 FLT3 (0.44) FLT3PAK1MEN1KMT2AMAPT
SCHEMBL2804431 0.81 TRPV1 (0.45) EPHX2PAK1PAK3PAK2TRPV1
SCHEMBL2806785 0.81 PAK1 (0.44) FLT3PAK1TRPV1
SCHEMBL2807991 0.80 CYP1A2 (0.42) FLT3PAK1KITMEN1KMT2A
SCHEMBL2802422 0.79 PAK1 (0.42) FLT3PAK1PAK3PAK2

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 2353/4885FLT3 1163/4885KDR 2521/4885

“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.