SCHEMBL10150150

SCHEMBL10150150

Bn1cc(Cn2ccc3c(N)cccc32)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.37
CYP19A1 P11511 12/20 0.36
TBXAS1 P24557 3/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
IDO1 P14902 1/20 0.33
PSMB5 P28074 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL4569770 0.83 CYP19A1 (0.34) SLC2A1CYP19A1TBXAS1HSP90AA1HSP90AB1
SCHEMBL3706703 0.79 L3MBTL1 (0.41) TBXAS1
SCHEMBL3969618 0.71 NCF1 (0.49) SLC2A1
SCHEMBL5959744 0.71 HTR6 (0.46) SLC2A1CYP19A1KLKB1KLK1
SCHEMBL4056966 0.68 HTR6 (0.60) SLC2A1CYP19A1KLKB1KLK1
SCHEMBL29880153 0.68 HTR6 (0.60) SLC2A1CYP19A1KLKB1KLK1
SCHEMBL3698821 0.68 L3MBTL1 (0.36) SLC2A1HSP90AA1HSP90AB1KLKB1KLK1
SCHEMBL913801 0.66 MPO (0.44) CYP19A1TBXAS1
SCHEMBL20850931 0.65 HTR6 (0.40) SLC2A1KLKB1KLK1
SCHEMBL28271849 0.64 HTR6 (0.52) SLC2A1

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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 SLC2A1 3190/4885CYP19A1 2563/4885TBXAS1 1591/4885

“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.