SCHEMBL9904183

SCHEMBL9904183

O=C1NCCSc2c1sc1c(OCc3ccccc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 6/20 0.45
PRKD2 Q9BZL6 2/20 0.45
PRKD3 O94806 1/20 0.45
CDK1 P06493 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
BLM P54132 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9920656 0.82 PRKD1 (0.47) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9903995 0.77 PRKD1 (0.67) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL5022911 0.67 F9 (0.53) CDK1MAPTMAPK1TDP1L3MBTL1
SCHEMBL7588431 0.65 PARP10 (0.56) HTTL3MBTL1
SCHEMBL7284065 0.64 PIK3CG (0.47) MAPKAPK2MAPTMAPK1TDP1L3MBTL1
SCHEMBL7292567 0.63 MCHR1 (0.52) HTTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9920595 0.62 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL29920016 0.62 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL2987220 0.62 HTT (0.44) MEN1ALDH1A1KMT2AKDM4ETTR
SCHEMBL2013482 0.62 GRM5 (0.60)

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 6 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-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.