SCHEMBL7718372

SCHEMBL7718372

NC(=O)c1ccnc(N)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NAPRT Q6XQN6 1/20 0.42
PIK3CB P42338 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
GDA Q9Y2T3 1/20 0.39
PARP1 P09874 1/20 0.39
IKBKB O14920 1/20 0.38
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL29082054 0.83 NAPRT (0.37) KDM4EL3MBTL1NAPRTPIK3CBMKNK1
SCHEMBL28128057 0.82 KDM4E (0.50) KDM4ETDP1ALDH1A1MAPTSLC40A1
SCHEMBL28320832 0.82 PIK3C3 (0.42) NAPRTPIK3CBMKNK1MKNK2SLC40A1
SCHEMBL8321873 0.81 KDM4E (0.47) KDM4EL3MBTL1PIK3CBMKNK1MKNK2
SCHEMBL21248760 0.81 NOS3 (0.45) KDM4EL3MBTL1NAPRTPIK3CBMKNK1
SCHEMBL15380562 0.81 MKNK1 (0.44) L3MBTL1NAPRTPIK3CBMKNK1MKNK2
SCHEMBL9002808 0.78 SIRT3 (0.44) KDM4EL3MBTL1PIK3CBMKNK1MKNK2
SCHEMBL18417648 0.78 KDM4E (0.44) KDM4EL3MBTL1NAPRTPIK3CBMKNK1
SCHEMBL5169967 0.78 NOS3 (0.52) KDM4EL3MBTL1NAPRTPIK3CBMKNK1
SCHEMBL14917427 0.78 NOS2 (0.52) NAPRTPIK3CBMKNK1MKNK2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108350427-B ROR1 positive mesenchymal stem cells and pharmaceutical composition comprising same 日本乐敦制药株式会社 2022-03-11 CN disclosed
US-6376500-B2 1-(INDOL-3-YLALKYL)ALKYLPIPERIDIN-4 -YL)-3H-QUINOLIN-4-ONE, FOR EXAMPLE; ALPHA1A/ B-RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; UROGENITAL DISORDERS; BENIGN PROSTATIC HYPERTROPHY; ANALGESICS FOR INFLAMMATORY, NEUROPATHY, CANCER, SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones CLARK ROBIN DOUGLAS (US) 2001-12-13 US disclosed
US-6258819-B1 BIOLOGICAL RECEPTORS, ANTIINFLAMMATORY AGENTS, BENIGN PROSTATE AND SIDE EFFECT REDUCTION SYNTEX (U.S.A.) LLC 2001-07-10 US disclosed
WO-2001010860-A2 QUINAZOLINONE AND AZAQUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-02-15 WO 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-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones ADRA2B, ADRA1D, ADRA1B KDM4E 2218/4885L3MBTL1 4857/4885NAPRT 835/4885

“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.