SCHEMBL20444416

SCHEMBL20444416

CC(C)c1ccc(-n2ccnn2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.57
▸ KEAP1 Q14145 1/20 0.51
▸ CYP19A1 P11511 1/20 0.40
▸ USP1 O94782 2/20 0.37
▸ WDR48 Q8TAF3 2/20 0.37
▸ USP7 Q93009 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL20437909 0.83 NOTUM (0.58) NOTUMKEAP1CYP19A1USP1WDR48
SCHEMBL24925228 0.81 NOTUM (0.57) NOTUMKEAP1CYP19A1USP1WDR48
SCHEMBL13122736 0.81 NOTUM (0.63) NOTUMKEAP1CYP19A1
SCHEMBL30538076 0.80 NOTUM (0.63) NOTUMKEAP1CYP19A1KCNH2
SCHEMBL26918079 0.78 NOTUM (0.57) NOTUMKEAP1CYP19A1USP1WDR48
SCHEMBL12891749 0.78 KDM5B (0.47) NOTUMUSP1KDM5B
SCHEMBL28267973 0.78 NOTUM (0.56) NOTUMKEAP1KCNH2
SCHEMBL16787394 0.76 NOTUM (0.58) NOTUMKEAP1CYP19A1KCNH2
SCHEMBL13735664 0.76 NOTUM (0.58) NOTUMKEAP1CYP19A1
SCHEMBL26971181 0.75 NOTUM (0.53) NOTUMKEAP1CYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor PLEXXIKON INC. (US) 2020-07-07 — — US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 — — US 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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor CDK8, CDK7, CDK18 NOTUM 1387/4885KEAP1 2819/4885CYP19A1 1060/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 NOTUM 1387/4885KEAP1 2819/4885CYP19A1 1060/4885

“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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