SCHEMBL20437894

SCHEMBL20437894

CC(C)c1ccc(-n2ccnn2)cn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.60
CYP19A1 P11511 1/20 0.45
KDM5B Q9UGL1 1/20 0.40
KEAP1 Q14145 1/20 0.39
BRS3 P32247 1/20 0.39
USP1 O94782 6/20 0.38
WDR48 Q8TAF3 3/20 0.38
USP7 Q93009 1/20 0.38

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
SCHEMBL20409464 0.77 NOTUM (0.61) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL15044963 0.77 NOTUM (0.60) NOTUM
SCHEMBL13728485 0.77 NOTUM (0.47) NOTUMKDM5BBRS3USP1
SCHEMBL12794021 0.75 NOTUM (1.00) NOTUMCYP19A1KDM5BKEAP1USP1
SCHEMBL12248368 0.75 NOTUM (0.45) NOTUMCYP19A1KDM5BKEAP1
SCHEMBL25825567 0.75 RXRA (0.38)
SCHEMBL1188176 0.74 NOTUM (0.52) NOTUMCYP19A1KEAP1BRS3
SCHEMBL1163413 0.74 NOTUM (0.61) NOTUMCYP19A1KEAP1BRS3
SCHEMBL10447781 0.73 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3
SCHEMBL13615877 0.72 CHRNA7 (0.33)

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 3 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
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 1387/4885CYP19A1 1060/4885KDM5B 1399/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 NOTUM 1387/4885CYP19A1 1060/4885KDM5B 1399/4885

“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.