SCHEMBL21777007

SCHEMBL21777007

FC(F)(F)c1cc(-n2ccnn2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 1.00
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CHRNB2 P17787 1/20 0.52
CYP2B6 P20813 1/20 0.52
MAOA P21397 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHRNA4 P43681 1/20 0.52
HTR3A P46098 1/20 0.52
AR P10275 1/20 0.52
KCNH2 Q12809 1/20 0.50

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
SCHEMBL21792323 0.83 NOTUM (0.70) NOTUMAR
SCHEMBL21776985 0.81 NOTUM (1.00) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL10984591 0.80 NOTUM (1.00) NOTUM
SCHEMBL15012399 0.78 NOTUM (0.64) NOTUMARKCNH2
SCHEMBL21792280 0.78 NOTUM (0.64) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL13122736 0.78 NOTUM (0.63) NOTUM
SCHEMBL21777031 0.76 NOTUM (1.00) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21792324 0.76 NOTUM (1.00) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL30412461 0.76 NOTUM (0.72) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL15889282 0.75 NOTUM (0.66) 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 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 1/4885CYP1A2 2434/4885CYP2C9 4595/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885CYP1A2 1415/4885CYP2C9 4500/4885

“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.