SCHEMBL659962

SCHEMBL659962

Cn1nc(Br)c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.42
NFATC1 O95644 3/20 0.42
GSK3B P49841 3/20 0.42
AXL P30530 1/20 0.39
IMPDH2 P12268 1/20 0.38
NAMPT P43490 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5A P29375 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL31167938 0.85 AXL (0.39) DYRK1ANFATC1GSK3BAXLIMPDH2
SCHEMBL14075034 0.85 AXL (0.39) DYRK1ANFATC1GSK3BAXLIMPDH2
SCHEMBL4008575 0.78 ADORA2A (0.50) DYRK1ANFATC1GSK3BNAMPTADORA3
SCHEMBL23145661 0.77 DYRK1A (0.42) DYRK1ANFATC1GSK3BNAMPTADORA3
SCHEMBL21894106 0.77 GSK3B (0.42) DYRK1ANFATC1GSK3BAXLIMPDH2
SCHEMBL21893439 0.74 DYRK1A (0.40) DYRK1ANFATC1GSK3BNAMPTADORA3
SCHEMBL21893785 0.74 DYRK1A (0.41) DYRK1ANFATC1GSK3BNAMPTADORA3
SCHEMBL11916066 0.74 DYRK1A (0.40) DYRK1ANFATC1GSK3BNAMPTADORA3
SCHEMBL29461124 0.74 GPR3 (0.44) KCNH2CYP3A4
SCHEMBL7074771 0.74 GPR3 (0.44) KCNH2CYP3A4

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-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 DYRK1A 2154/4885NFATC1 229/4885GSK3B 393/4885

“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.