SCHEMBL9920608

SCHEMBL9920608

CCCCOc1ccc2sc3c(c2c1)OCCCNC3=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 15/20 0.48
CDK1 P06493 14/20 0.48
PRKD1 Q15139 3/20 0.47
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL15474147 0.94 MAPKAPK2 (0.47) MAPKAPK2CDK1PRKD1CA12CA1
SCHEMBL9920612 0.85 MAPKAPK2 (0.65) MAPKAPK2CDK1PRKD1KDM4EALDH1A1
SCHEMBL19696372 0.83 MAOB (0.45) MAPKAPK2CDK1PRKD1ALDH1A1HPGD
SCHEMBL9920620 0.80 MAPKAPK2 (0.71) MAPKAPK2CDK1PRKD1
SCHEMBL9920648 0.80 PRKD1 (0.74) MAPKAPK2CDK1PRKD1
SCHEMBL15471972 0.79 CDK1 (0.44) MAPKAPK2CDK1PRKD1KDM4EALDH1A1
SCHEMBL6649916 0.78 MAPKAPK2 (0.65) MAPKAPK2CDK1PRKD1KDM4EALDH1A1
SCHEMBL9920461 0.77 MAPKAPK2 (0.73) MAPKAPK2CDK1PRKD1
SCHEMBL19696347 0.77 MAOB (0.46) MAPKAPK2CDK1PRKD1ALDH1A1HPGD
SCHEMBL15472006 0.72 CDK1 (0.43) MAPKAPK2CDK1PRKD1KDM4EALDH1A1

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 MAPKAPK2 31/4885CDK1 107/4885PRKD1 2/4885

“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.