SCHEMBL92685

SCHEMBL92685

COc1ccc(CNc2nc(CN)nc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.73
SLC2A1 P11166 1/20 0.62
POLB P06746 2/20 0.62
EGFR P00533 2/20 0.62
NR2F2 P24468 1/20 0.62
USP1 O94782 1/20 0.58
WDR48 Q8TAF3 1/20 0.58
NCF1 P14598 1/20 0.58
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
ACHE P22303 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP2C19 P33261 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
Hydrochloric Acid SCHEMBL3120955 0.99 APP (0.72) APPSLC2A1POLBEGFRNR2F2
Sulfuric Acid SCHEMBL3125331 0.93 APP (0.65) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3106193 0.90 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3110568 0.89 APP (0.71) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3116114 0.88 APP (0.57) APPSLC2A1POLBEGFRNR2F2
SCHEMBL92716 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3110583 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3115914 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3119160 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL4864671 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527693-A 2011-11-04 JP claimed
US-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES MYREXIS, INC. (US) 2011-09-15 US claimed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US claimed
EP-2309856-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF Myrexis, Inc. (US) 2011-04-20 EP claimed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 WO 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-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES MYREXIS, INC. (US) 2011-09-15 US disclosed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US disclosed
EP-2309856-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF Myrexis, Inc. (US) 2011-04-20 EP disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 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 (5 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 2989/4885SLC2A1 2605/4885POLB 1857/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885SLC2A1 2886/4885POLB 1789/4885
US-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES VHL, GLS2, SLC19A1 APP 4679/4885SLC2A1 9/4885POLB 1020/4885
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF TP53, NFATC1, BAD APP 4331/4885SLC2A1 861/4885POLB 1433/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 APP 3879/4885SLC2A1 337/4885POLB 1329/4885

“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.