SCHEMBL20399992

SCHEMBL20399992

CC1(C)OB(c2ccc(-c3cnn(CCC#N)c3)c(F)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.41
NTRK1 P04629 1/20 0.41
JAK2 O60674 8/20 0.39
TYK2 P29597 8/20 0.39
JAK1 P23458 4/20 0.39
JAK3 P52333 4/20 0.39
STAT3 P40763 3/20 0.39
FFAR1 O14842 1/20 0.38
RORC P51449 2/20 0.38
ABL1 P00519 1/20 0.38
PIK3CG P48736 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ROCK1 Q13464 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
SCHEMBL17113497 0.84 LPL (0.44) JAK2TYK2JAK1JAK3STAT3
SCHEMBL520251 0.80 FFAR1 (0.56) JAK2TYK2JAK1JAK3STAT3
SCHEMBL21392525 0.78 ROCK1 (0.40) FEN1FFAR1LPLLIPGROCK1
SCHEMBL29439716 0.73 FFAR1 (0.53) JAK2TYK2JAK1JAK3STAT3
SCHEMBL15810291 0.72 LPL (0.48) RORCLPLLIPGROCK1
SCHEMBL2554670 0.70 ROCK1 (0.49) LPLLIPGROCK1
SCHEMBL5899457 0.70 LIPG (0.60) LPLLIPGROCK1
SCHEMBL15915817 0.69 FEN1 (0.50) FEN1LPLLIPG
SCHEMBL20794291 0.69 LPL (0.43) LPLLIPGROCK1
SCHEMBL21630737 0.69 FEN1 (0.43) FEN1NTRK1JAK2TYK2JAK1

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 4 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
EP-3558991-A2 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2019-10-30 EP 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 FEN1 2461/4885NTRK1 3889/4885JAK2 808/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 FEN1 2461/4885NTRK1 3889/4885JAK2 808/4885

“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.