SCHEMBL20437884

SCHEMBL20437884

CC(C)C#Cc1cn[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
PMP22 Q01453 1/20 0.37
HAO1 Q9UJM8 4/20 0.33
NOS2 P35228 1/20 0.33
ACACB O00763 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31

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
SCHEMBL20578549 0.75 KCNH2 (0.40) KCNH2LMNAAPEX1PMP22HAO1
SCHEMBL29312363 0.75 HAO1 (0.34) KCNH2LMNAAPEX1PMP22HAO1
SCHEMBL31504928 0.73 HAO1 (0.49) KCNH2LMNAAPEX1PMP22HAO1
SCHEMBL461868 0.72 KCNH2 (0.39) KCNH2LMNAAPEX1PMP22HAO1
SCHEMBL20409158 0.71
SCHEMBL19303487 0.71 KCNH2 (0.38) KCNH2LMNAAPEX1PMP22HAO1
SCHEMBL4497205 0.70
SCHEMBL527210 0.68 APP (0.52) HAO1
SCHEMBL16077763 0.67 GRM5 (0.48) EGLN1EGLN3
SCHEMBL25627929 0.67

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 KCNH2 4046/4885LMNA 963/4885APEX1 4000/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 KCNH2 4046/4885LMNA 963/4885APEX1 4000/4885

“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.