SCHEMBL3062086

SCHEMBL3062086

CC1CCN(Cc2cccc3c2Cc2c-3[nH]c(=O)c3c2C(OS(C)(=O)=O)CCC3)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
PARP1 P09874 4/20 0.35
KDR P35968 2/20 0.34
CRBN Q96SW2 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
BRD4 O60885 1/20 0.31
HTR7 P34969 1/20 0.31
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3060578 0.94 KDR (0.35) PARP1KDRCRBNKITFLT1
SCHEMBL3054605 0.91 DHODH (0.33) KDRKITFLT1BRD4
SCHEMBL3049183 0.91 DHODH (0.33) KDRKITFLT1BRD4
SCHEMBL3049565 0.90 SPR (0.32) KDRKITFLT1SLC6A4
SCHEMBL3062082 0.82 PARP1 (0.42) ACHEPARP1KDRCRBNIKZF3
SCHEMBL2783628 0.82 PARP1 (0.46) ACHEPARP1KDRCRBNIKZF3
SCHEMBL3060552 0.81 HRH3 (0.39) PARP1KDRKITFLT1DRD2
SCHEMBL3060549 0.75 KDR (0.37) PARP1KDRKITFLT1BRD4
SCHEMBL13658195 0.75 ACHE (0.51) ACHEPARP1KDRKITFLT1
SCHEMBL3049564 0.73 KDR (0.35) PARP1KDRKITFLT1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 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 (1 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 ACHE 2327/4885PARP1 245/4885KDR 97/4885

“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.