SCHEMBL10328322

SCHEMBL10328322

CN(C)c1ccnc2c(=O)n(C)nnc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 17/20 0.39
GRM5 P41594 11/20 0.39
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KAT2B Q92831 1/20 0.33

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
SCHEMBL10328318 0.78 MAPT (0.37) GRM1GRM5KDM4EALDH1A1HPGD
SCHEMBL10328323 0.75 GRM1 (0.40) GRM1GRM5KDM4EHTTALDH1A1
SCHEMBL13563774 0.74 KAT2B (0.39) KAT2B
SCHEMBL17926602 0.70 GRM1 (0.36) GRM1GRM5KDM4EHTTALDH1A1
SCHEMBL10328047 0.68 SLC9A1 (0.44) ALDH1A1KAT2B
SCHEMBL7010148 0.67 SMPD3 (0.33) GRM1GRM5KDM4EHTTALDH1A1
SCHEMBL17950443 0.66 RXFP1 (0.37) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL4578397 0.63 CCR1 (0.50) KDM4EHTTALDH1A1HPGDTSHR
SCHEMBL23331997 0.62 ADORA1 (0.42) GRM1GRM5KDM4EHTTALDH1A1
SCHEMBL27259002 0.61 ALDH1A1 (0.40) KDM4EHTTALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
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 (3 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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP GRM1 3368/4885GRM5 3455/4885KDM4E 4645/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP GRM1 3275/4885GRM5 3569/4885KDM4E 4768/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP GRM1 3368/4885GRM5 3455/4885KDM4E 4645/4885

“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.