SCHEMBL21777017

SCHEMBL21777017

COC(=O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 1.00
GPR119 Q8TDV5 2/20 0.63
DDT P30046 1/20 0.62
AR P10275 1/20 0.60
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
KCNH2 Q12809 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL21792297 0.85 NOTUM (0.74) NOTUMGPR119DDTARKCNH2
SCHEMBL21776821 0.83 NOTUM (0.75) NOTUMGPR119DDTCA12CA1
SCHEMBL21792125 0.81 NOTUM (1.00) NOTUMDDTCA12CA1CA2
SCHEMBL1790343 0.80 NOTUM (0.66) NOTUMGPR119DDTRAB9A
SCHEMBL5904691 0.80 NOTUM (0.66) NOTUMGPR119DDTCA12CA1
SCHEMBL15677781 0.79 NOTUM (0.64) NOTUMGPR119DDTRAB9A
SCHEMBL21792139 0.76 NOTUM (1.00) NOTUM
SCHEMBL26085015 0.75 NOTUM (0.64) NOTUMCA12CA1CA2CA9
SCHEMBL23451838 0.74 NOTUM (1.00) NOTUMARKCNH2
SCHEMBL21792038 0.73 NOTUM (1.00) NOTUMCA12CA1CA2CA9

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 1/4885GPR119 2681/4885DDT 2572/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885GPR119 498/4885DDT 2754/4885

“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.