Sugi Predict

Sugi Predict / Compounds / SCHEMBL9919928

SCHEMBL9919928

SCHEMBL9919928

COC(=O)c1sc2cnc(OC)nc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL15472009 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL16505451 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL16505170 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL1098273 0.74 LIMK1 (0.49) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL9920603 0.73 TSHR (0.38) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL16505057 0.73 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL16504816 0.71 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL16504599 0.69 KMT2A (0.41) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL15283538 0.69 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL30891104 0.69 L3MBTL1 (0.39) ALDH1A1HSD17B10KDM4EHPGDGLA

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 7 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
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 3/4885ALDH1A1 4548/4885

“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.