SCHEMBL9920706

SCHEMBL9920706

CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCNC3=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.65
GRM2 Q14416 1/20 0.58
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 3/20 0.51
ESR1 P03372 1/20 0.51
MAPKAPK2 P49137 2/20 0.50
PLK4 O00444 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50

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
SCHEMBL9904220 0.93 GRM2 (0.67) PRKD1GRM2KDM4EALDH1A1MAPT
SCHEMBL6071115 0.85 KDM4E (0.61) GRM2KDM4EALDH1A1MAPTLMNA
SCHEMBL6763839 0.81 GRM2 (0.64) PRKD1GRM2KDM4EALDH1A1MAPT
SCHEMBL10222677 0.80 BAZ2B (0.57) GRM2KDM4EALDH1A1MAPTLMNA
SCHEMBL15472018 0.79 KDM4E (0.84) PRKD1KDM4EALDH1A1MAPTLMNA
SCHEMBL9920629 0.79 PRKD1 (1.00) PRKD1GRM2KDM4EALDH1A1MAPT
SCHEMBL13248388 0.78 MAPKAPK2 (0.70) PRKD1MAPTMAPKAPK2PLK4DAPK3
SCHEMBL21724805 0.77 PRKD1 (0.71) PRKD1KDM4EALDH1A1MAPTLMNA
SCHEMBL9920628 0.77 PRKD1 (0.71) PRKD1GRM2KDM4EALDH1A1MAPT
SCHEMBL6236714 0.76 KDM4E (0.85) PRKD1KDM4EALDH1A1MAPTLMNA

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 PRKD1 2/4885GRM2 3559/4885KDM4E 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.