SCHEMBL10328323

SCHEMBL10328323

CN(C)c1ccnc2c(=O)n(C)cnc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 19/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 11/20 0.40
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL23331997 0.77 ADORA1 (0.42) GRM1KDM4EHTTALDH1A1HPGD
SCHEMBL24616830 0.76 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL13563775 0.75 ACVR1 (0.40) GRM1KMT2A
SCHEMBL10328322 0.75 GRM1 (0.39) GRM1KDM4EHTTALDH1A1HPGD
SCHEMBL8237325 0.74 ROCK2 (0.40) GRM1KDM4EHTTALDH1A1HPGD
SCHEMBL8242718 0.74 GRM1 (0.69) GRM1KDM4EHTTALDH1A1HPGD
SCHEMBL10328337 0.67 ACVR1 (0.50) KDM4EALDH1A1KMT2A
SCHEMBL14438644 0.66 ADORA2A (0.48) HSD17B10
SCHEMBL23697044 0.66 SMPD3 (0.34) GRM1KDM4EHTTALDH1A1HPGD
SCHEMBL25098010 0.66 SMPD3 (0.34) GRM1KDM4EHTTALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US 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 (2 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-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP GRM1 3275/4885KDM4E 4768/4885HTT 2761/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP GRM1 3368/4885KDM4E 4645/4885HTT 2620/4885

“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.