SCHEMBL20409246

SCHEMBL20409246

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 3/20 0.48
IRAK4 Q9NWZ3 4/20 0.44
RET P07949 1/20 0.43
LRRK2 Q5S007 1/20 0.43
FYN P06241 5/20 0.42
MET P08581 1/20 0.42
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR3 P22607 1/20 0.39
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
FLT3 P36888 1/20 0.38
TTK P33981 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
SCHEMBL20409491 0.89 IRAK4 (0.46) IRAK1IRAK4RETLRRK2FYN
SCHEMBL20437925 0.88 FYN (0.40) IRAK4RETFYNCHEK1FGFR1
SCHEMBL20409548 0.88 GSK3B (0.43) IRAK4RETFYNCHEK1FGFR1
SCHEMBL20409466 0.87 FYN (0.39) RETFYNCHEK1FGFR1FGFR3
SCHEMBL20409580 0.86 CHEK1 (0.44) RETLRRK2FYNCHEK1FLT3
SCHEMBL20409423 0.86 CHEK1 (0.47) RETLRRK2FYNMETCHEK1
SCHEMBL20409582 0.85 GSK3B (0.43) RETFGFR1FGFR3WNT1GSK3B
SCHEMBL20409426 0.84 IRAK4 (0.46) IRAK4RETFYNMETCHEK1
SCHEMBL20421781 0.84 CCNC (0.44) RETLRRK2FYNMETCHEK1
SCHEMBL20409248 0.84 FYN (0.42) RETLRRK2FYNCHEK1PIM1

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 IRAK1 2645/4885IRAK4 2506/4885RET 2094/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 IRAK1 2645/4885IRAK4 2506/4885RET 2094/4885

“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.