SCHEMBL2933552

SCHEMBL2933552

NC(=O)c1cnc(-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.53
IKBKB O14920 1/20 0.49
MAP2K3 P46734 1/20 0.49
SIRT6 Q8N6T7 2/20 0.48
GSK3B P49841 1/20 0.48
KMO O15229 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.45
BCAT2 O15382 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 3/20 0.43
CASP1 P29466 2/20 0.42
BAZ2B Q9UIF8 1/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP7 P55210 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2929188 0.89 LDHA (0.56) LDHAKMOCYP3A4ALDH1A1KDM4E
SCHEMBL29907612 0.82 NPC1 (0.50) SIRT6GSK3BALDH1A1KDM4EHPGD
SCHEMBL25260161 0.81 LDHA (0.49) LDHAIKBKBKMOCYP3A4ALDH1A1
SCHEMBL5305431 0.81 LDHA (0.49) LDHAKMOCYP3A4ALDH1A1BAZ2B
SCHEMBL25223880 0.81 CYP3A4 (0.55) LDHAIKBKBCYP3A4ALDH1A1KDM4E
SCHEMBL27646753 0.79 P4HTM (0.49) SIRT6GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL5703363 0.77 SMN1; SMN2 (0.49) LDHAKMOCYP3A4ALDH1A1BAZ2B
SCHEMBL25213243 0.77 MEN1 (0.49) LDHACYP3A4ALDH1A1KDM4EBAZ2B
SCHEMBL2635320 0.77 SIRT6 (0.73) SIRT6GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL1304066 0.77 RAB9A (0.52) LDHAALDH1A1CYP11B1CYP11B2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US claimed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US claimed
EP-1846424-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2007-10-24 EP claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 WO claimed
US-20240148723-A1 MYCOBACTERIUM TUBERCULOSIS COMPOSITIONS AND METHODS PZA INNOVATION LLC 2024-05-09 US disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed
US-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 US disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 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 (4 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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 LDHA 4218/4885IKBKB 673/4885MAP2K3 2461/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 LDHA 4126/4885IKBKB 680/4885MAP2K3 2795/4885
US-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 LDHA 3791/4885IKBKB 140/4885MAP2K3 3113/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 LDHA 3791/4885IKBKB 140/4885MAP2K3 3113/4885

“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.