SCHEMBL3106797

SCHEMBL3106797

COc1ccc(CNc2nc(N(C)CCO)nc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.61
MERTK Q12866 3/20 0.59
PRUNE1 Q86TP1 1/20 0.57
SLC2A1 P11166 1/20 0.55
USP1 O94782 1/20 0.55
WDR48 Q8TAF3 1/20 0.55
POLB P06746 3/20 0.55
EGFR P00533 2/20 0.55
NR2F2 P24468 1/20 0.55
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.51
PDE5A O76074 1/20 0.51
PDE6C P51160 1/20 0.51
PDE4D Q08499 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49

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
SCHEMBL3114953 0.87 MERTK (0.59) APPMERTKSLC2A1USP1WDR48
SCHEMBL3115246 0.86 APP (0.70) APPMERTKSLC2A1USP1WDR48
SCHEMBL3960300 0.83 LMNA (0.53) APPMERTKSLC2A1USP1WDR48
SCHEMBL12175982 0.81 MERTK (0.76) APPMERTKSLC2A1USP1WDR48
SCHEMBL3119160 0.79 APP (0.70) APPSLC2A1USP1WDR48POLB
SCHEMBL3116003 0.79 APP (0.59) APPMERTKPRUNE1SLC2A1USP1
SCHEMBL3119175 0.78 APP (0.68) APPSLC2A1USP1WDR48POLB
SCHEMBL3112532 0.78 APP (0.55) APPMERTKSLC2A1USP1WDR48
SCHEMBL2255109 0.78 SLC2A1 (0.81) APPSLC2A1USP1WDR48POLB
SCHEMBL2586993 0.78 SLC2A1 (0.81) APPSLC2A1USP1WDR48POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US 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 (2 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX APP 2989/4885MERTK 2283/4885PRUNE1 1474/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885MERTK 1812/4885PRUNE1 1558/4885

“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.