SCHEMBL3113145

SCHEMBL3113145

COc1ccc(CNc2nc(OC(C)C)nc3cccc(F)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
EGFR P00533 2/20 0.44
POLB P06746 2/20 0.44
NR2F2 P24468 1/20 0.44
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CDK1 P06493 2/20 0.41
SLC2A1 P11166 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NCF1 P14598 1/20 0.39
MAP2K4 P45985 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACP1 P24666 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
SCHEMBL3120767 0.87 LMNA (0.46) APPEGFRPOLBNR2F2TDP1
SCHEMBL3108497 0.82 APP (0.67) APPEGFRPOLBNR2F2USP1
SCHEMBL3116820 0.80 APP (0.49) APPEGFRPOLBNR2F2JAK2
SCHEMBL3121133 0.80 APP (0.46) APPEGFRPOLBNR2F2JAK2
Hydrochloric Acid SCHEMBL3118108 0.79 APP (0.46) APPEGFRPOLBNR2F2JAK2
SCHEMBL3758748 0.77 EGFR (0.49) APPEGFRPOLBNR2F2JAK2
SCHEMBL3113150 0.73 KDR (0.44) EGFR
SCHEMBL21542044 0.71 APP (0.64) APPEGFRPOLBNR2F2NCF1
SCHEMBL3118894 0.70 APP (0.74) APPEGFRPOLBNR2F2USP1
SCHEMBL3112153 0.70 EGFR (0.54) APPEGFRPOLBNR2F2SLC2A1

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 2989/4885EGFR 3147/4885POLB 1857/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885EGFR 2648/4885POLB 1789/4885

“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.