SCHEMBL3109840

SCHEMBL3109840

COCCOc1nc(NCc2ccc(OC)cc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.65
EGFR P00533 3/20 0.61
POLB P06746 2/20 0.61
NR2F2 P24468 1/20 0.61
SLC2A1 P11166 1/20 0.58
USP1 O94782 1/20 0.55
WDR48 Q8TAF3 1/20 0.55
LMNA P02545 3/20 0.53
TP53 P04637 1/20 0.53
NCF1 P14598 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL3119546 0.97 APP (0.61) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL3124803 0.97 APP (0.61) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL3113216 0.89 APP (0.60) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL3118629 0.88 APP (0.68) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL3118894 0.88 APP (0.74) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL3114833 0.88 APP (0.61) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL4737097 0.82 APP (0.55) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL3108497 0.82 APP (0.67) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL4737141 0.82 EGFR (0.55) APPEGFRPOLBNR2F2SLC2A1
SCHEMBL4787621 0.82 EGFR (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US claimed
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.