SCHEMBL20409604

SCHEMBL20409604

N#CC1CCN(c2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.46
RET P07949 8/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TTK P33981 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PIK3CD O00329 1/20 0.32
JAK1 P23458 1/20 0.32
PIM1 P11309 3/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
JAK2 O60674 1/20 0.30

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
SCHEMBL20409238 0.81 MLYCD (0.37) RETALDH1A1
SCHEMBL20409602 0.79 IDH1 (0.30) PIM1
SCHEMBL20400831 0.75 FLT3 (0.36) EGLN2PIK3CDPIM1BRD4CREBBP
SCHEMBL20421770 0.74 TNKS (0.35) PIK3CD
SCHEMBL20409406 0.74 EGLN2 (0.46) EGLN2TTKCREBBP
SCHEMBL20409246 0.73 IRAK1 (0.48) RETTTKPIM1
SCHEMBL20409386 0.72 RET (0.33) RET
SCHEMBL20409491 0.71 IRAK4 (0.46) RETTTK
SCHEMBL20400276 0.70 WNT1 (0.38) RETTTKJAK1PIM1JAK2
SCHEMBL20409547 0.70 PIM1 (0.30) PIM1

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 EGLN2 2588/4885RET 2094/4885KDM4E 452/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 EGLN2 2588/4885RET 2094/4885KDM4E 452/4885

“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.