SCHEMBL9904264

SCHEMBL9904264

O=C1NCCC(=O)c2c1oc1ccc(O)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 4/20 0.64
CDK5 Q00535 3/20 0.64
CDK5R1 Q15078 3/20 0.64
LMNA P02545 2/20 0.64
TP53 P04637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 1/20 0.64
PRKD2 Q9BZL6 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
CYP1A2 P05177 2/20 0.41
DYRK1A Q13627 2/20 0.41

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
SCHEMBL19696351 0.86 PRKD1 (0.61) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL15472031 0.86 PRKD1 (0.61) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL9920687 0.83 PRKD1 (0.84) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL17384886 0.80 PRKD1 (0.53) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL9904268 0.78 PRKD1 (1.00) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL31060198 0.78 PRKD1 (1.00) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL9920723 0.77 ALDH1A1 (0.50) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL9904133 0.77 ALDH1A1 (0.50) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL9904150 0.77 PRKD1 (1.00) PRKD1CDK5CDK5R1LMNATP53
SCHEMBL9920805 0.75 PRKD1 (0.48) PRKD1CDK5CDK5R1LMNATP53

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 9 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
WO-2015193680-A1 TREATMENT IMPERIAL INNOVATIONS LIMITED (GB) 2015-12-23 WO 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
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 2/4885CDK5 170/4885CDK5R1 223/4885

“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.