SCHEMBL21792141

SCHEMBL21792141

CCOc1ccc(-n2cc(CO)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 1.00
P2RX7 Q99572 2/20 0.73
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
PTGS2 P35354 1/20 0.52
MIF P14174 1/20 0.49

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
SCHEMBL15060979 0.88 NOTUM (0.79) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL23451560 0.84 NOTUM (1.00) NOTUMP2RX7L3MBTL1
SCHEMBL13526965 0.81 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL21157730 0.81 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL19211396 0.79 NOTUM (1.00) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL19211467 0.78 P2RX7 (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL19211427 0.78 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL30723667 0.77 NOTUM (0.72) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL9969543 0.77 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL15578596 0.77 NOTUM (0.62) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885P2RX7 3985/4885KDM4E 3907/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885P2RX7 2289/4885KDM4E 4149/4885

“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.