SCHEMBL20437889

SCHEMBL20437889

Cc1c(-c2ccc(C(C)C)nc2)cnn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.50
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
BRD4 O60885 2/20 0.39
KDM4E B2RXH2 3/20 0.37
EP300 Q09472 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
APOBEC3A P31941 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
USP1 O94782 2/20 0.37
CREBBP Q92793 2/20 0.37
MAPK1 P28482 3/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 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
SCHEMBL15341756 0.78 CYP11B2 (0.58) CYP11B2MKNK1MKNK2BRD4KDM4E
SCHEMBL888893 0.74 CHRNA7 (0.36) KDM4EALDH1A1MAPTRAB9A
SCHEMBL15345127 0.73 CYP11B2 (0.66) CYP11B2MKNK1MKNK2BRD4KDM4E
SCHEMBL19531882 0.73 CYP11B2 (0.45) CYP11B2MKNK1MKNK2BRD4KDM4E
SCHEMBL13729593 0.73 HTR7 (0.39) BRD4EP300PRMT5WDR77CREBBP
SCHEMBL15341865 0.72 KDM4E (0.39) CYP11B2BRD4KDM4EALDH1A1POLB
SCHEMBL20437914 0.71 LCK (0.42) ALDH1A1MAPK1MAPTRAB9A
SCHEMBL16787517 0.71 ABL1 (0.40)
SCHEMBL17806589 0.71 CYP11B2 (0.47) CYP11B2MKNK1MKNK2BRD4PRMT5
SCHEMBL12651134 0.70 CYP11B2 (0.62) CYP11B2BRD4KDM4EALDH1A1POLB

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 CYP11B2 517/4885MKNK1 1460/4885MKNK2 1697/4885

“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.