SCHEMBL3049565

SCHEMBL3049565

CCOC1CCN(Cc2cccc3c2Cc2c-3[nH]c(=O)c3c2C(OS(C)(=O)=O)CCC3)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.32
KDR P35968 2/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
SLC6A4 P31645 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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 0.91 KDR (0.35) KDRKITFLT1SLC6A4HRH3
SCHEMBL3062086 0.90 ACHE (0.36) KDRKITFLT1SLC6A4
SCHEMBL3049183 0.88 DHODH (0.33) KDRKITFLT1
SCHEMBL3054605 0.88 DHODH (0.33) KDRKITFLT1
SCHEMBL3049564 0.84 KDR (0.35) SPRKDRKITFLT1
SCHEMBL2780156 0.84 KDR (0.37) SPRKDRKITFLT1
SCHEMBL3060552 0.82 HRH3 (0.39) KDRKITFLT1HRH3
SCHEMBL13658196 0.78 KDR (0.40) KDRKITFLT1
SCHEMBL3062082 0.73 PARP1 (0.42) KDRKITFLT1
SCHEMBL3060549 0.73 KDR (0.37) KDRKITFLT1

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 SPR 2441/4885KDR 97/4885KIT 1281/4885

“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.