SCHEMBL9904133

SCHEMBL9904133

O=C1NCCC(=NNc2ccccc2)c2c1oc1ccc(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CDK5 Q00535 4/20 0.50
CDK5R1 Q15078 4/20 0.50
PRKD1 Q15139 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
MAOB P27338 1/20 0.39
WEE1 P30291 1/20 0.38
GFER P55789 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.37
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
CALM1 P0DP23 1/20 0.36
PKM P14618 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
SCHEMBL9920723 1.00 ALDH1A1 (0.50) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL17384886 0.84 PRKD1 (0.53) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL9920805 0.80 PRKD1 (0.48) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL9904109 0.80 PRKD1 (0.48) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL9904264 0.77 PRKD1 (0.64) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL9904140 0.77 PRKD1 (0.45) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL9920388 0.77 PRKD1 (0.45) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL19696351 0.75 PRKD1 (0.61) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL15472031 0.75 PRKD1 (0.61) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1
SCHEMBL17384887 0.73 PRKD1 (0.47) ALDH1A1CDK5CDK5R1PRKD1L3MBTL1

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 ALDH1A1 4548/4885CDK5 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.