SCHEMBL2804250

SCHEMBL2804250

CCCNC(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
FYN P06241 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
MEN1 O00255 1/20 0.38
KIT P10721 2/20 0.38
CHEK1 O14757 1/20 0.38
NAMPT P43490 4/20 0.38
JAK2 O60674 1/20 0.38
FLT3 P36888 1/20 0.38
HPGDS O60760 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PAK1 Q13153 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
SCHEMBL2803239 0.87 PRMT5 (0.38) KMT2AFYNNAMPT
SCHEMBL2802787 0.85 NAMPT (0.39) KMT2AFYNMEN1CHEK1NAMPT
SCHEMBL2804990 0.84 NAMPT (0.46) KMT2AALDH1A1PTGDR2MEN1KIT
SCHEMBL12316273 0.83 ENPP2 (0.43) ALDH1A1LMNAPAK1
SCHEMBL2802604 0.83 NAMPT (0.39) KMT2AALDH1A1FYNMEN1CHEK1
SCHEMBL2805431 0.82 KMT2A (0.46) KMT2AALDH1A1PTGDR2MEN1KIT
SCHEMBL12340426 0.82 NAMPT (0.34) KMT2AFYNCHEK1NAMPTHPGDS
SCHEMBL2808046 0.82 FLT3 (0.42) KMT2AMEN1NAMPTFLT3HPGDS
SCHEMBL2805762 0.81 NAMPT (0.46) ALDH1A1NAMPT
SCHEMBL2805588 0.81 ROCK1 (0.49) ALDH1A1CHEK1NAMPTLMNA

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 KMT2A 1795/4885ALDH1A1 460/4885FYN 1564/4885

“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.