SCHEMBL21792049

SCHEMBL21792049

N#Cc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 1.00
▸ AR P10275 1/20 0.60
▸ KCNH2 Q12809 2/20 0.51
▸ GPR119 Q8TDV5 2/20 0.47
▸ DDT P30046 1/20 0.46
▸ FLT1 P17948 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ RXRA P19793 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 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
SCHEMBL23451838 0.76 NOTUM (1.00) NOTUMARKCNH2RXRAGRIN1
SCHEMBL21792297 0.75 NOTUM (0.74) NOTUMARKCNH2GPR119DDT
SCHEMBL21792176 0.74 NOTUM (1.00) NOTUMARKCNH2RXRAGRIN1
SCHEMBL21776859 0.72 NOTUM (1.00) NOTUMARKCNH2RXRAGRIN1
SCHEMBL21777017 0.71 NOTUM (1.00) NOTUMARKCNH2GPR119DDT
SCHEMBL28410377 0.70 NOTUM (0.54) NOTUMARKCNH2GPR119DDT
SCHEMBL21777007 0.70 NOTUM (1.00) NOTUMARKCNH2
SCHEMBL25045148 0.68 NOTUM (0.51) NOTUMRXRAGRIN1GRIN2B
SCHEMBL17502291 0.68 KCNH2 (1.00) NOTUMKCNH2
SCHEMBL30995074 0.68 NOTUM (0.50) 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 1/4885AR 4711/4885KCNH2 4732/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885AR 3945/4885KCNH2 4604/4885

“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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