SCHEMBL13403978

SCHEMBL13403978

CC(=O)N1CCC(C)(c2csc(Nc3ncc(C(F)(F)F)cc3Oc3cccnc3C)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 11/20 0.48
▸ HTR2A P28223 4/20 0.37
▸ HTR2C P28335 4/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ SCN8A Q9UQD0 2/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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 SCHEMBL3599999 0.99 GCK (0.47) GCKHTR2AHTR2CHTR2BSCN8A
SCHEMBL3598741 0.84 GCK (0.57) GCK
SCHEMBL13403999 0.82 GCK (0.54) GCK
Hydrochloric Acid SCHEMBL3606717 0.81 GCK (0.54) GCK
SCHEMBL3606087 0.78 GCK (0.73) GCKHTR2AHTR2CHTR2B
SCHEMBL10297700 0.77 GCK (0.45) GCKHTR2AHTR2CHTR2BSCN8A
SCHEMBL2669805 0.76 GCK (0.69) GCK
SCHEMBL13403979 0.75 GCK (0.59) GCK
Hydrochloric Acid SCHEMBL2661914 0.75 GCK (0.69) GCK
SCHEMBL3603663 0.75 GCK (0.59) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 — — US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 — — 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 (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-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GCK 1/4885HTR2A 1658/4885HTR2C 2546/4885

“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.

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