SCHEMBL20409463

SCHEMBL20409463

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
RET P07949 14/20 0.40
CHEK1 O14757 1/20 0.39
FYN P06241 2/20 0.38
LRRK2 Q5S007 1/20 0.36
FLT3 P36888 1/20 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
SCHEMBL20409248 0.87 FYN (0.42) RETCHEK1FYNLRRK2FLT3
SCHEMBL20421715 0.87 CHEK1 (0.41) RETCHEK1FYN
SCHEMBL20409245 0.83 CHEK1 (0.40) RETCHEK1FYNFLT3
SCHEMBL20409580 0.83 CHEK1 (0.44) RETCHEK1FYNLRRK2FLT3
SCHEMBL20409423 0.83 CHEK1 (0.47) RETCHEK1FYNLRRK2FLT3
SCHEMBL20409426 0.81 IRAK4 (0.46) RETCHEK1FYNFLT3
SCHEMBL20421781 0.81 CCNC (0.44) RETCHEK1FYNLRRK2FLT3
SCHEMBL20409465 0.81 RET (0.49) KITRETCHEK1FYNFLT3
SCHEMBL20409246 0.79 IRAK1 (0.48) RETCHEK1FYNLRRK2FLT3
SCHEMBL20421866 0.79 CDK8 (0.55)

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 KIT 2453/4885RET 2094/4885CHEK1 167/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 KIT 2453/4885RET 2094/4885CHEK1 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.