SCHEMBL10328256

SCHEMBL10328256

Cn1nnc2ncccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.42
KAT2B Q92831 7/20 0.41
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PARP1 P09874 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 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
SCHEMBL904817 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL10328047 0.76 SLC9A1 (0.44) FEN1KAT2BALDH1A1ADORA3ADORA2A
SCHEMBL10328042 0.75 SLC9A1 (0.50) KDM4ELMNA
SCHEMBL7015479 0.73 KDM4E (0.42) FEN1KAT2BBRD4ALDH1A1KDM4E
SCHEMBL169123 0.73 FEN1 (0.36) FEN1KAT2BBRD4MAPTPARP1
SCHEMBL10328327 0.72 ACVR1 (0.51) FEN1BRD4IDO1
SCHEMBL11195631 0.70 MAPT (0.57) ALDH1A1KDM4EMAPTPARP1LMNA
SCHEMBL10328378 0.69 ALDH1A1 (0.38) FEN1KAT2BBRD4ALDH1A1ADORA3
SCHEMBL17950689 0.69 GPR139 (0.45) KAT2BBRD4KDM4EPARP1LMNA
SCHEMBL10328257 0.69 IDO1 (0.39) KAT2BALDH1A1IDO1ADORA3ADORA2A

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 FEN1 3367/4885KAT2B 3816/4885BRD4 3205/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP FEN1 3282/4885KAT2B 3874/4885BRD4 3492/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP FEN1 3367/4885KAT2B 3816/4885BRD4 3205/4885

“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.