SCHEMBL20437891

SCHEMBL20437891

Cc1ccncc1-c1ccc(C(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.46
CYP11B2 P19099 8/20 0.44
CYP11B1 P15538 6/20 0.44
GRIA2 P42262 1/20 0.40
DHODH Q02127 1/20 0.39
RPS6KA3 P51812 1/20 0.38
CYP17A1 P05093 1/20 0.37

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
SCHEMBL16787517 0.79 ABL1 (0.40) ABL1
SCHEMBL20437914 0.79 LCK (0.42) ABL1
SCHEMBL20437882 0.77 CYP11B1 (0.47) ABL1CYP11B2CYP11B1GRIA2DHODH
SCHEMBL26971204 0.77 MAPT (0.44)
SCHEMBL3813230 0.76 ABL1 (0.63) ABL1CYP11B2CYP11B1
SCHEMBL888893 0.75 CHRNA7 (0.36)
SCHEMBL3208265 0.74 ABL1 (0.40) ABL1
SCHEMBL12926034 0.74 CYP2A6 (0.56) CYP11B2CYP11B1CYP17A1
SCHEMBL22579317 0.73 ESR1 (0.38) ABL1
SCHEMBL20437906 0.73 CYP11B1 (0.51) ABL1CYP11B2CYP11B1GRIA2DHODH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 ABL1 936/4885CYP11B2 517/4885CYP11B1 426/4885

“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.