SCHEMBL2808046

SCHEMBL2808046

O=C(NCC1CCCCC1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
CSNK1E P49674 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 8/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 3/20 0.36
HPGDS O60760 1/20 0.36
JAK3 P52333 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12340426 0.82 NAMPT (0.34) KMT2ANAMPTMAPK1HPGDSJAK3
SCHEMBL2804250 0.82 KMT2A (0.41) FLT3MEN1KMT2ANAMPTHPGDS
SCHEMBL2803239 0.80 PRMT5 (0.38) CSNK1EKMT2ANAMPTMAPK1
SCHEMBL2802604 0.77 NAMPT (0.39) MEN1KMT2ANAMPTMAPK1
SCHEMBL2805431 0.76 KMT2A (0.46) PDGFRBMEN1KMT2ANAMPTMAPK1
SCHEMBL2803078 0.76 FLT3 (0.46) FLT3KDRMAPK1HPGDSJAK3
SCHEMBL2805762 0.75 NAMPT (0.46) NAMPT
SCHEMBL2809081 0.75 KMT2A (0.43) KMT2AMAPK1
SCHEMBL2486602 0.74 RAB9A (0.55) PDGFRBMEN1KMT2AMAPK1
SCHEMBL2804404 0.74 PAK1 (0.47) KDRNAMPTPOLB

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 FLT3 1163/4885PDGFRB 1363/4885KDR 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.