SCHEMBL21776859

SCHEMBL21776859

OCCCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 1.00
▸ KCNH2 Q12809 2/20 0.58
▸ AR P10275 1/20 0.58
▸ JAK2 O60674 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ RXRA P19793 3/20 0.51
▸ GRIN1 Q05586 3/20 0.51
▸ GRIN2B Q13224 3/20 0.51

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
SCHEMBL21792176 0.93 NOTUM (1.00) NOTUMKCNH2ARRXRAGRIN1
SCHEMBL23451838 0.87 NOTUM (1.00) NOTUMKCNH2ARRXRAGRIN1
SCHEMBL19211518 0.78 NOTUM (0.81) NOTUMKCNH2RXRAGRIN1GRIN2B
SCHEMBL23451926 0.77 NOTUM (1.00) NOTUM
SCHEMBL17502291 0.74 KCNH2 (1.00) NOTUMKCNH2
SCHEMBL21792297 0.73 NOTUM (0.74) NOTUMKCNH2AR
SCHEMBL28611957 0.73 RXRA (0.69) NOTUMRXRAGRIN1GRIN2B
SCHEMBL19211413 0.73 NOTUM (0.80) NOTUMRXRAGRIN1GRIN2B
SCHEMBL21792049 0.72 NOTUM (1.00) NOTUMKCNH2ARRXRAGRIN1
SCHEMBL12760739 0.72 NOTUM (0.55) NOTUMJAK2ROCK2GSK3B

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 1/4885KCNH2 4732/4885AR 4711/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KCNH2 4604/4885AR 3945/4885

“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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