SCHEMBL6821391

SCHEMBL6821391

Cc1ccccc1-c1[nH]c2ccc(Cl)cc2c1C1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 5/20 0.53
MAP2 P11137 1/20 0.49
PTGS2 P35354 2/20 0.43
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6826682 0.89 PTGS2 (0.48) NISCHPTGS2CCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL7736192 0.88 PTGS2 (0.47) NISCHPTGS2CCNB2CDK1CCNB1
SCHEMBL6824110 0.87 NISCH (0.48) NISCHMAP2LMNARECQL
SCHEMBL6824744 0.87 NISCH (0.45) NISCHLMNARECQL
Hydrochloric Acid SCHEMBL7738748 0.86 NISCH (0.47) NISCHMAP2LMNARECQL
SCHEMBL6823856 0.86 PTGS2 (0.43) NISCHPTGS2CCNB2CDK1CCNB1
SCHEMBL6824682 0.85 MAP2 (0.52) NISCHMAP2PTGS2
Hydrochloric Acid SCHEMBL7736312 0.85 NISCH (0.52) NISCHPTGS2LMNARECQL
Hydrochloric Acid SCHEMBL7736149 0.84 MAP2 (0.51) NISCHMAP2PTGS2
SCHEMBL6820884 0.83 PTGS2 (0.41) NISCHMAP2PTGS2CCNB2CDK1

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 NISCH 277/4885MAP2 2107/4885PTGS2 3400/4885

“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.