SCHEMBL6070872

SCHEMBL6070872

CS(=O)(=O)c1nccc(-c2ccnn2-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.40
NR3C2 P08235 1/20 0.40
ADORA2B P29275 1/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 3/20 0.38
PDE10A Q9Y233 2/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
SDHB P21912 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
S1PR4 O95977 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 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
SCHEMBL27315070 0.76 POLB (0.42) MDM2NR3C2ADORA2BCYP2C9PDE10A
SCHEMBL27313007 0.76 HSP90AA1 (0.53) NR3C2DYRK1APOLBHTTRAB9A
SCHEMBL6071072 0.75 DYRK1A (0.41) MDM2NR3C2ADORA2BPDE10ADYRK1A
SCHEMBL19924519 0.75 PDE10A (0.44) MDM2NR3C2ADORA2BPDE10APOLB
SCHEMBL4447801 0.75 BPTF (0.54) CYP2C9CYP2C19POLBLMNASDHB
SCHEMBL7256639 0.73 MDM2 (0.38) MDM2NR3C2ADORA2BCYP2C9CYP2C19
SCHEMBL26112335 0.72 PIK3CD (0.46) DYRK1ADYRK2DYRK1BPOLBLMNA
SCHEMBL30603243 0.72 PIK3CD (0.46) DYRK1ADYRK2DYRK1BPOLBLMNA
SCHEMBL5361055 0.70 KDM4E (0.52) POLBLMNAHSD17B10MEN1TP53
SCHEMBL4674162 0.70 GRM4 (0.50) ADORA2BDYRK1ADYRK2DYRK1BLMNA

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
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 MDM2 2474/4885NR3C2 942/4885ADORA2B 1964/4885

“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.