SCHEMBL9920607

SCHEMBL9920607

O=C1NCCCSc2c1sc1ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 1.00
PRKD2 Q9BZL6 3/20 0.85
PRKD3 O94806 1/20 0.85
CDK1 P06493 4/20 0.57
MAPKAPK2 P49137 4/20 0.57
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
CA2 P00918 1/20 0.31
ALPI P09923 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 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
SCHEMBL9920595 0.92 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL29920016 0.92 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL15472023 0.84 PRKD1 (0.73) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920615 0.81 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL19696371 0.77 PRKD1 (0.68) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920648 0.77 PRKD1 (0.74) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL15472000 0.76 PRKD1 (0.71) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9919702 0.76 PRKD1 (0.71) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920647 0.73 PRKD1 (0.67) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL6651109 0.73 MAPKAPK2 (1.00) 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.