SCHEMBL9920131

SCHEMBL9920131

CCCCOc1ccc2[nH]c3c(c2c1)CCCNC3=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 1/20 0.61
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
PRKD1 Q15139 1/20 0.59
PARP1 P09874 9/20 0.56
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
PLK4 O00444 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL9920633 0.93 KDM4E (0.71) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL6236714 0.84 KDM4E (0.85) KDM4EALDH1A1MAPTHPGDMTNR1A
Hydrochloric Acid SCHEMBL6351333 0.83 KDM4E (0.83) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL15465838 0.82 PRKD1 (0.60) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL15472018 0.77 KDM4E (0.84) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL34463669 0.76 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL3033917 0.76 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL34463671 0.76 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL9533981 0.76 KDM4E (0.63) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL21724805 0.75 PRKD1 (0.71) KDM4EALDH1A1MAPTHPGDMTNR1A

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 KDM4E 1875/4885ALDH1A1 4548/4885MAPT 2558/4885

“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.