SCHEMBL2657460

SCHEMBL2657460

Cc1ncccc1Oc1cc(N)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAP4K4 O95819 1/20 0.41
HTR2C P28335 5/20 0.40
TGFBR1 P36897 1/20 0.38
HTR2B P41595 4/20 0.38
HTR2A P28223 3/20 0.38
GCK P35557 5/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
CDK19 Q9BWU1 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR2 P41597 1/20 0.35
CCR4 P51679 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
NSD2 O96028 1/20 0.35
CASP6 P55212 1/20 0.35
DCPS Q96C86 1/20 0.34

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
SCHEMBL21652823 0.78 ADORA2A (0.43) ADORA2AADORA1MAP4K4HTR2CTGFBR1
SCHEMBL2657429 0.77 GCK (0.43) HTR2CTGFBR1HTR2BHTR2AGCK
SCHEMBL6545410 0.77 ADORA2A (0.50) ADORA2AADORA1MAP4K4TGFBR1GCK
SCHEMBL2657140 0.77 MAP4K4 (0.44) ADORA2AADORA1MAP4K4HTR2CTGFBR1
SCHEMBL2657335 0.74 TGFBR1 (0.55) ADORA2AADORA1MAP4K4TGFBR1DCPS
SCHEMBL31210714 0.73 PDPK1 (0.44) CYP3A4CYP2C9CYP2C19
SCHEMBL28515229 0.72 EPAS1 (0.44) MAP4K4
SCHEMBL30194063 0.72 EPAS1 (0.44) MAP4K4
SCHEMBL4796174 0.71 MAP4K4 (0.47) ADORA2AADORA1MAP4K4TGFBR1SLC22A12
SCHEMBL2660556 0.71 GCK (0.38) ADORA2AADORA1MAP4K4HTR2CTGFBR1

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-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
WO-2008091770-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-07-31 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-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ADORA2A 452/4885ADORA1 218/4885MAP4K4 219/4885

“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.