SCHEMBL2925641

SCHEMBL2925641

COc1ccc2nccc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NAMPT P43490 4/20 0.41
AKT1 P31749 1/20 0.41
DYRK1A Q13627 1/20 0.40
ATR Q13535 1/20 0.39
HDAC1 Q13547 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
HPN P05981 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL2925960 0.90 AKT1 (0.42) GRM2L3MBTL1NAMPTAKT1AAK1
SCHEMBL20770858 0.84 GRM2 (0.46) GRM2L3MBTL1NAMPTAKT1DYRK1A
SCHEMBL13175635 0.82 MTNR1A (0.40) L3MBTL1AAK1TDP1KDM4E
SCHEMBL7022247 0.80 GRM2 (0.48) GRM2L3MBTL1NAMPTAKT1DYRK1A
SCHEMBL30445886 0.78 GRM2 (0.47) GRM2L3MBTL1NAMPTAKT1DYRK1A
SCHEMBL20782643 0.78 GRM2 (0.47) GRM2L3MBTL1NAMPTAKT1DYRK1A
SCHEMBL20782574 0.78 ENPP3 (0.62) GRM2L3MBTL1NAMPTAKT1DYRK1A
SCHEMBL2925161 0.77 GRM2 (0.40) GRM2
SCHEMBL1723633 0.76 KDM4E (0.38) L3MBTL1AAK1TDP1KDM4E
SCHEMBL1723632 0.76 KDM4E (0.38) L3MBTL1AAK1TDP1KDM4E

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
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 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 (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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG GRM2 4881/4885L3MBTL1 1253/4885NAMPT 202/4885

“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.