SCHEMBL9920656

SCHEMBL9920656

CCCCOc1cccc2c3c(sc12)C(=O)NCCS3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 6/20 0.47
CDK1 P06493 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
PRKD2 Q9BZL6 2/20 0.42
PRKD3 O94806 1/20 0.42
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTR1B P28222 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RYR2 Q92736 1/20 0.32
TRPM2 O94759 1/20 0.31
PARP1 P09874 1/20 0.31
HTR1D P28221 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9904099 0.74 PRKD1 (0.56) PRKD1CDK1MAPKAPK2PRKD2PRKD3
SCHEMBL9920648 0.70 PRKD1 (0.74) PRKD1CDK1MAPKAPK2PRKD2PRKD3
SCHEMBL346865 0.66 MCHR1 (0.47) CYP1A2CYP2C9CYP2C19CNR1CNR2
SCHEMBL7586205 0.65 PARP1 (0.65) CYP1A2CYP2C9CYP2C19TRPM2PARP1
SCHEMBL9903995 0.64 PRKD1 (0.67) PRKD1CDK1MAPKAPK2PRKD2PRKD3
SCHEMBL2924471 0.64 CYP2C9 (0.59) CYP1A2CYP2C9CYP2C19CNR1CNR2
SCHEMBL30503960 0.64 CYP2C9 (0.59) CYP1A2CYP2C9CYP2C19CNR1CNR2
SCHEMBL30998128 0.63 MAPT (0.44) CYP2C9CNR1CNR2HTR1BTDP1
SCHEMBL30998130 0.63 MAPT (0.44) CYP2C9CNR1CNR2HTR1BTDP1
SCHEMBL30998122 0.63 MAPT (0.44) CYP2C9CNR1CNR2HTR1BTDP1

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-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 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 (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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 PRKD1 2/4885CDK1 107/4885MAPKAPK2 31/4885

“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.