SCHEMBL20409248

SCHEMBL20409248

Cn1cc(-c2ccc(-c3cnc4cccc(N5CCC(C)(O)CC5)n34)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.42
LRRK2 Q5S007 2/20 0.41
CHEK1 O14757 1/20 0.41
FLT3 P36888 4/20 0.37
FGFR1 P11362 1/20 0.36
FGFR3 P22607 1/20 0.36
RET P07949 1/20 0.35
PIM1 P11309 3/20 0.35

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
SCHEMBL20409245 0.88 CHEK1 (0.40) FYNCHEK1FLT3FGFR1FGFR3
SCHEMBL20409463 0.87 KIT (0.42) FYNLRRK2CHEK1FLT3RET
SCHEMBL20409423 0.85 CHEK1 (0.47) FYNLRRK2CHEK1FLT3RET
SCHEMBL20409580 0.85 CHEK1 (0.44) FYNLRRK2CHEK1FLT3RET
SCHEMBL20409465 0.85 RET (0.49) FYNCHEK1FLT3FGFR1FGFR3
SCHEMBL20409246 0.84 IRAK1 (0.48) FYNLRRK2CHEK1FLT3FGFR1
SCHEMBL20409426 0.84 IRAK4 (0.46) FYNCHEK1FLT3RETPIM1
SCHEMBL20421781 0.84 CCNC (0.44) FYNLRRK2CHEK1FLT3RET
SCHEMBL20421866 0.83 CDK8 (0.55)
SCHEMBL20409455 0.82 CHEK1 (0.42) FYNLRRK2CHEK1FLT3RET

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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor PLEXXIKON INC. (US) 2020-07-07 US disclosed
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
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
WO-2018136202-A2 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-07-26 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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor CDK8, CDK7, CDK18 FYN 2577/4885LRRK2 1873/4885CHEK1 167/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 FYN 2577/4885LRRK2 1873/4885CHEK1 167/4885

“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.