SCHEMBL2803239

SCHEMBL2803239

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.38
WDR77 Q9BQA1 4/20 0.38
MAPK1 P28482 6/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
FYN P06241 1/20 0.36
NAMPT P43490 4/20 0.35
CSNK1E P49674 1/20 0.35
KCNK3 O14649 1/20 0.34

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
SCHEMBL2804250 0.87 KMT2A (0.41) KMT2AFYNNAMPT
SCHEMBL12316273 0.81 ENPP2 (0.43) MAPK1
SCHEMBL2802604 0.81 NAMPT (0.39) MAPK1KMT2AFYNNAMPT
SCHEMBL12340426 0.81 NAMPT (0.34) MAPK1KMT2AFYNNAMPT
SCHEMBL2808046 0.80 FLT3 (0.42) MAPK1KMT2ANAMPTCSNK1E
SCHEMBL2804990 0.80 NAMPT (0.46) MAPK1KMT2ANAMPT
SCHEMBL2805431 0.79 KMT2A (0.46) MAPK1CYP1A2KMT2ANAMPT
SCHEMBL2805762 0.78 NAMPT (0.46) NAMPT
SCHEMBL2804632 0.78 NAMPT (0.44) MAPK1CYP1A2KMT2ANAMPT
SCHEMBL2809081 0.78 KMT2A (0.43) MAPK1KMT2A

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 PRMT5 230/4885WDR77 3218/4885MAPK1 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.