SCHEMBL9920611

SCHEMBL9920611

N#CSc1ccc2sc3c(c2c1)SCCNC3=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 6/20 0.62
PRKD2 Q9BZL6 2/20 0.62
PRKD3 O94806 1/20 0.62
CDK1 P06493 3/20 0.59
MAPKAPK2 P49137 3/20 0.59
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRA3 P34903 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL15472000 0.77 PRKD1 (0.71) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9919702 0.77 PRKD1 (0.71) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL29920016 0.77 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920595 0.77 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL6651109 0.74 MAPKAPK2 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920647 0.74 PRKD1 (0.67) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9905816 0.74 PRKD1 (0.68) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9904371 0.72 MAPKAPK2 (0.74) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL15465380 0.71 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920690 0.71 PRKD1 (0.61) PRKD1PRKD2PRKD3CDK1MAPKAPK2

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 5 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-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
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 2/4885PRKD2 3/4885PRKD3 4/4885

“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.