SCHEMBL12125649

SCHEMBL12125649

CC(C)Sc1nccc2occc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ HTR2C P28335 6/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ DRD1 P21728 5/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FADS1 O60427 1/20 0.34
▸ HTR2A P28223 5/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31

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
SCHEMBL12128579 0.79 HTR2C (0.40) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL18239084 0.72 HTR2C (0.40) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL2757287 0.69 HTR2C (0.47) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL15688342 0.68 MAPT (0.38) ALDH1A1HTR2CTRPA1FADS1CNR2
SCHEMBL9111978 0.65 FADS1 (0.38) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL15688333 0.65 HTR2C (0.43) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL22729154 0.65 HTR2C (0.43) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL22323315 0.65 TRPA1 (0.46) HTR2CTRPA1DRD1FADS1CNR2
SCHEMBL16488517 0.65 HTR2C (0.43) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL127374 0.65 FADS1 (0.46) HTR2CTRPA1DRD1FADS1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 — — US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 — — US disclosed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 — — US disclosed
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2011-11-17 — — US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 — — 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 (3 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-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH ALDH1A1 649/4885PPARG 790/4885NCOA2 1292/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 1205/4885PPARG 829/4885NCOA2 1147/4885
US-20110281874-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 1205/4885PPARG 829/4885NCOA2 1147/4885

“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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