SCHEMBL9920628

SCHEMBL9920628

Nc1ccc2[nH]c3c(c2c1)CCCNC3=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.71
KDM4E B2RXH2 5/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HTT P42858 2/20 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 2/20 0.53
NCOA3 Q9Y6Q9 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GSK3B P49841 2/20 0.47
CDK5 Q00535 2/20 0.47
MAPK1 P28482 2/20 0.47
PLK4 O00444 1/20 0.47

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
SCHEMBL2888000 0.91 KDM4E (0.69) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL9920629 0.83 PRKD1 (1.00) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL21724805 0.83 PRKD1 (0.71) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL15472018 0.83 KDM4E (0.84) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL6070964 0.81 KDM4E (0.68) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL6882020 0.80 KDM4E (0.81) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL6236714 0.80 KDM4E (0.85) PRKD1KDM4ELMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL6351333 0.79 KDM4E (0.83) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL7979758 0.77 KDM4E (0.48) PRKD1KDM4ELMNAMAPTALDH1A1
SCHEMBL9920706 0.77 PRKD1 (0.65) PRKD1KDM4ELMNAMAPTALDH1A1

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 5 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-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 2/4885KDM4E 1875/4885LMNA 3108/4885

“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.