SCHEMBL6820932

SCHEMBL6820932

Clc1ccc2[nH]c(-c3ccccc3)c(C3=NCCN3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
NISCH Q9Y2I1 4/20 0.49
MAP2 P11137 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE10A Q9Y233 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHA2 P29317 1/20 0.46
FLT3 P36888 1/20 0.46

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
Hydrochloric Acid SCHEMBL7735546 0.99 PTGS2 (0.51) PTGS2NISCHMAP2KDM4EMEN1
SCHEMBL6823645 0.92 LMNA (0.55) PTGS2NISCHMAP2LMNARECQL
SCHEMBL6826340 0.91 PTGS2 (0.50) PTGS2NISCHLMNARECQL
Hydrochloric Acid SCHEMBL7727169 0.91 LMNA (0.57) PTGS2NISCHMAP2LMNARECQL
SCHEMBL6825115 0.90 NISCH (0.49) PTGS2NISCHCSF1RLMNARECQL
SCHEMBL6824740 0.89 LMNA (0.48) PTGS2NISCHLMNARECQL
SCHEMBL6825030 0.88 NISCH (0.57) PTGS2NISCHCSF1RGSK3AGSK3B
SCHEMBL6824069 0.88 NISCH (0.58) PTGS2NISCHMEN1KMT2ADYRK1A
SCHEMBL6825016 0.88 NISCH (0.51) PTGS2NISCHMEN1KMT2ACSF1R
SCHEMBL6824458 0.87 NISCH (0.56) PTGS2NISCHCSF1RHTR2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US claimed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP claimed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP claimed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US claimed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP claimed
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R PTGS2 3400/4885NISCH 277/4885MAP2 2107/4885

“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.