SCHEMBL9920629

SCHEMBL9920629

O=C1NCCCc2c1[nH]c1ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 4/20 1.00
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54
CDK5 Q00535 2/20 0.54
PRKD2 Q9BZL6 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
TP53 P04637 1/20 0.54
CDK5R1 Q15078 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
NCOA1 Q15788 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL1655185 0.91 PRKD1 (0.84) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL21724805 0.83 PRKD1 (0.71) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL9920628 0.83 PRKD1 (0.71) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL15472018 0.83 KDM4E (0.84) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL6882020 0.80 KDM4E (0.81) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL6236714 0.80 KDM4E (0.85) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL14259277 0.79 PRKD1 (0.66) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL9920706 0.79 PRKD1 (0.65) PRKD1ALDH1A1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL6351333 0.79 KDM4E (0.83) PRKD1ALDH1A1KDM4ELMNAMAPT
SCHEMBL15465838 0.76 PRKD1 (0.60) PRKD1ALDH1A1KDM4ELMNAMAPT

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 2/4885ALDH1A1 4548/4885KDM4E 1875/4885

“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.