SCHEMBL21776965

SCHEMBL21776965

Oc1nnc(-c2ccc3c(c2)CCCO3)o1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.60
▸ GSK3B P49841 8/20 0.47
▸ DYRK1A Q13627 1/20 0.44
▸ METAP2 P50579 6/20 0.44
▸ AXL P30530 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43

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
SCHEMBL23451975 0.80 METAP2 (0.63) NOTUMMETAP2
SCHEMBL27578676 0.75 ERN1 (0.50) NOTUMDYRK1ARIPK1
SCHEMBL21792334 0.75 NOTUM (0.62) NOTUMGSK3BMETAP2AXLMERTK
SCHEMBL22471887 0.74 DYRK1A (0.61) NOTUMGSK3BDYRK1A
SCHEMBL1395948 0.74 GSK3B (0.55) NOTUMGSK3BDYRK1A
SCHEMBL13435542 0.72 NPC1 (0.62) GSK3BDYRK1A
SCHEMBL3490039 0.71 GSK3B (0.66) GSK3BDYRK1A
SCHEMBL459693 0.71 CTNNB1 (0.49) NOTUMDYRK1ARIPK1
SCHEMBL29674920 0.71 CTNNB1 (0.49) NOTUMDYRK1ARIPK1
SCHEMBL27578678 0.71 CTNNB1 (0.47) NOTUMDYRK1AAXLMERTKRIPK1

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 6 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
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 — — EP 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
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 1/4885GSK3B 877/4885DYRK1A 4811/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885GSK3B 1024/4885DYRK1A 4747/4885

“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.

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