SCHEMBL20437896

SCHEMBL20437896

CC(C)c1ccc(-n2ccnn2)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.60
EGLN1 Q9GZT9 3/20 0.39
EGLN2 Q96KS0 2/20 0.36
CYP19A1 P11511 2/20 0.36
CHRM1 P11229 1/20 0.36
USP1 O94782 4/20 0.34
TET2 Q6N021 1/20 0.33
OGFOD1 Q8N543 1/20 0.33
TET1 Q8NFU7 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33

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
SCHEMBL30212204 0.84 NOTUM (0.54) NOTUMEGLN1EGLN2CYP19A1TET2
SCHEMBL30046228 0.77 NOTUM (0.56) NOTUMEGLN1EGLN2CYP19A1CHRM1
SCHEMBL5612789 0.77 NOTUM (0.56) NOTUMEGLN1EGLN2CYP19A1CHRM1
SCHEMBL27950995 0.77 NOTUM (0.39) NOTUMEGLN1EGLN2CHRM1TET2
SCHEMBL12680212 0.77 LMNA (0.53) EGLN1USP1
SCHEMBL15114557 0.77 NOTUM (0.60) NOTUMEGLN1
SCHEMBL10130915 0.76 CHRM1 (0.43) NOTUMEGLN1EGLN2CYP19A1CHRM1
SCHEMBL12794021 0.75 NOTUM (1.00) NOTUMCYP19A1USP1
SCHEMBL12248368 0.75 NOTUM (0.45) NOTUMEGLN2CYP19A1
SCHEMBL1556693 0.74 NOTUM (0.39) NOTUMEGLN2CYP19A1CHRM1

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 NOTUM 1387/4885EGLN1 3328/4885EGLN2 2588/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 NOTUM 1387/4885EGLN1 3328/4885EGLN2 2588/4885

“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.