SCHEMBL10058352

SCHEMBL10058352

CC(C)c1ccc2c(C(C)C)ncnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
EGFR P00533 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PDE1B Q01064 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TBK1 Q9UHD2 2/20 0.36
FYN P06241 2/20 0.36
FLT3 P36888 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL6957590 0.85 IRAK4 (0.47) KIF11EGFRIRAK4PDE1BNPC1
SCHEMBL21347904 0.81 CHEK1 (0.42) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL14442426 0.81 IRAK4 (0.41) KIF11EGFRIRAK4NPC1RAB9A
SCHEMBL25873246 0.80 EGFR (0.47) EGFRNPC1RAB9AALDH1A1MEN1
SCHEMBL21348272 0.80 NR4A2 (0.46) PDE1BNPC1ALDH1A1KDM4EMEN1
SCHEMBL12141937 0.80 TRPA1 (0.40) EGFRMEN1KMT2AMAP4K4CSF1R
SCHEMBL17249514 0.80 PI4KA (0.48) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL14572004 0.80 EGFR (0.40) KIF11EGFRIRAK4NPC1RAB9A
SCHEMBL1455474 0.80 PDE4A (0.48) KIF11EGFRIRAK4PDE1BNPC1
SCHEMBL12141884 0.77 EGFR (0.51) EGFRALDH1A1MAPTMAP4K4LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 US disclosed
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION IRM LLC (BM) 2007-08-16 US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 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 (6 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 KIF11 3422/4885EGFR 2014/4885IRAK4 1827/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 KIF11 3517/4885EGFR 3756/4885IRAK4 3130/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX KIF11 4800/4885EGFR 623/4885IRAK4 2747/4885
US-20070191380-A1 KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION MAP2K2, MAP2K1, MAP2K7 KIF11 758/4885EGFR 382/4885IRAK4 630/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 KIF11 3422/4885EGFR 2014/4885IRAK4 1827/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 KIF11 2767/4885EGFR 223/4885IRAK4 4294/4885

“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.