SCHEMBL9920648

SCHEMBL9920648

CCCCOc1ccc2sc3c(c2c1)SCCCNC3=O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 6/20 0.74
MAPKAPK2 P49137 15/20 0.64
CDK1 P06493 14/20 0.64
PRKD2 Q9BZL6 2/20 0.52
PRKD3 O94806 1/20 0.52

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
SCHEMBL9920461 0.93 MAPKAPK2 (0.73) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL9920615 0.85 PRKD1 (1.00) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL19696371 0.83 PRKD1 (0.68) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL9920620 0.81 MAPKAPK2 (0.71) PRKD1MAPKAPK2CDK1
SCHEMBL9920842 0.80 MAPKAPK2 (0.54) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL9920608 0.80 MAPKAPK2 (0.48) PRKD1MAPKAPK2CDK1
SCHEMBL15472023 0.79 PRKD1 (0.73) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL6651109 0.78 MAPKAPK2 (1.00) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL15474147 0.77 MAPKAPK2 (0.47) PRKD1MAPKAPK2CDK1PRKD2PRKD3
SCHEMBL9920607 0.77 PRKD1 (1.00) PRKD1MAPKAPK2CDK1PRKD2PRKD3

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 2/4885MAPKAPK2 31/4885CDK1 107/4885

“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.