SCHEMBL20437882

SCHEMBL20437882

Cc1ccncc1-c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
ABL1 P00519 3/20 0.45
LMNA P02545 1/20 0.42
PTGS2 P35354 2/20 0.42
GRIA2 P42262 1/20 0.42
DGAT1 O75907 1/20 0.41
DHODH Q02127 1/20 0.41
RPS6KA3 P51812 1/20 0.40
CYP17A1 P05093 3/20 0.39
CYP1A2 P05177 3/20 0.39
NISCH Q9Y2I1 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL13310660 0.85 RPS6KA3 (0.43) LMNADGAT1RPS6KA3NISCH
SCHEMBL28109293 0.81 CYP11B1 (0.50) CYP11B1CYP11B2ABL1PTGS2DHODH
SCHEMBL10272837 0.81 ABL1 (0.55) CYP11B1CYP11B2ABL1LMNAPTGS2
SCHEMBL17795041 0.80 CYP11B1 (0.53) CYP11B1CYP11B2ABL1PTGS2DHODH
SCHEMBL14900842 0.80 CYP11B1 (0.51) CYP11B1CYP11B2ABL1LMNAPTGS2
SCHEMBL20437899 0.79 LMNA (0.58) CYP11B1CYP11B2ABL1LMNAPTGS2
SCHEMBL19374726 0.77 LMNA (0.39) CYP11B1CYP11B2ABL1LMNACYP17A1
SCHEMBL21180023 0.77 ERN1 (0.44) CYP11B1CYP11B2ABL1LMNAPTGS2
SCHEMBL20437906 0.77 CYP11B1 (0.51) CYP11B1CYP11B2ABL1PTGS2GRIA2
SCHEMBL20437891 0.77 ABL1 (0.46) CYP11B1CYP11B2ABL1GRIA2DHODH

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 CYP11B1 426/4885CYP11B2 517/4885ABL1 936/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 CYP11B1 426/4885CYP11B2 517/4885ABL1 936/4885

“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.