SCHEMBL2804632

SCHEMBL2804632

O=C(NCc1cccnc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
VNN1 O95497 3/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.40
FES P07332 1/20 0.40
RET P07949 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
SYK P43405 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CACNA1G O43497 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
SCHEMBL2483910 0.87 NAMPT (0.51) NAMPTLMNASMN1; SMN2MAPT
SCHEMBL2803625 0.85 MAPK1 (0.55) NAMPTMAPK1KMT2AMEN1NPC1
SCHEMBL2804990 0.83 NAMPT (0.46) NAMPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL2808052 0.83 PKM (0.47) NAMPTMAPK1SMN1; SMN2
SCHEMBL2805000 0.81 NAMPT (0.55) NAMPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL2809081 0.81 KMT2A (0.43) MAPK1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL2804250 0.79 KMT2A (0.41) NAMPTLMNAKMT2AMEN1NPSR1
SCHEMBL2805762 0.79 NAMPT (0.46) NAMPT
SCHEMBL2802604 0.78 NAMPT (0.39) NAMPTVNN1MAPK1MAPTKMT2A
SCHEMBL2803239 0.78 PRMT5 (0.38) NAMPTMAPK1KMT2ACYP1A2

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 NAMPT 212/4885VNN1 4115/4885MAPK1 3253/4885

“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.