SCHEMBL5401331

SCHEMBL5401331

CNc1ncc(-c2ccccc2)n2c(-c3ccccc3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.45
CHUK O15111 4/20 0.45
TTK P33981 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 5/20 0.40
LCK P06239 2/20 0.39
GAA P10253 1/20 0.39
EGFR P00533 1/20 0.38
ATP1A1 P05023 3/20 0.38
ATP1B1 P05026 3/20 0.38
ATP1A3 P13637 3/20 0.38
ATP1B2 P14415 3/20 0.38
ATP1A2 P50993 3/20 0.38
ATP1B3 P54709 3/20 0.38
FXYD2 P54710 3/20 0.38
ATP1A4 Q13733 3/20 0.38
FLT3 P36888 1/20 0.38
CYP17A1 P05093 1/20 0.37

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
SCHEMBL5396816 0.83 FYN (0.48) TTKCYP1A2CYP3A4CYP2D6SRC
SCHEMBL2816677 0.81 HTR2C (0.51) IKBKBCHUKLCK
SCHEMBL5403440 0.78 FLT3 (0.59) TTKFLT3
SCHEMBL5405124 0.78 FLT3 (0.52) IKBKBTTKSRCLCKFLT3
SCHEMBL5404865 0.75 FLT3 (0.56) TTKFLT3
SCHEMBL15940871 0.72 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6SRCLCK
SCHEMBL2815052 0.70 HTR2C (0.47) IKBKBCHUKLCKGAA
SCHEMBL2818724 0.70 IKBKB (0.48) IKBKBCHUKLCKEGFR
SCHEMBL2818464 0.70 HTR2C (0.47) IKBKBCHUKSRCLCKGAA
SCHEMBL2816389 0.70 HTR2C (0.47) IKBKBCHUKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US claimed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 US claimed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US disclosed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 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 (2 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-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 IKBKB 452/4885CHUK 237/4885TTK 69/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 IKBKB 337/4885CHUK 100/4885TTK 369/4885

“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.