SCHEMBL5401385

SCHEMBL5401385

Nc1ccc(-c2cnc3c(N)nccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.59
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
NFKB1 P19838 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB2 Q00653 2/20 0.48
KMT2A Q03164 2/20 0.48
RELA Q04206 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TLR7 Q9NYK1 12/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
AHCY P23526 1/20 0.40
NUDT1 P36639 1/20 0.40

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
SCHEMBL5404541 0.87 TTK (0.56) TTKKDM4EMEN1NPC1ALDH1A1
SCHEMBL5396810 0.87 TTK (0.55) TTKKDM4EMEN1NPC1ALDH1A1
SCHEMBL5401418 0.81 KDM4E (0.43) TTKKDM4EMEN1NPC1ALDH1A1
SCHEMBL5401420 0.80 FLT3 (0.56) TTKKDM4EMEN1NPC1ALDH1A1
SCHEMBL5619058 0.78 TTK (0.48) TTKTLR7
SCHEMBL14573300 0.78 TTK (0.51) TTKKDM4EMEN1NPC1ALDH1A1
SCHEMBL14573302 0.78 KDR (0.49) TTKKDM4EMEN1NPC1ALDH1A1
SCHEMBL5394350 0.76 TTK (0.55) TTK
SCHEMBL8239633 0.75 AURKA (0.53) TTKTLR7AHCY
SCHEMBL22123375 0.74 TTK (0.45) TTKKDM4EMEN1NPC1ALDH1A1

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 9 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-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 TTK 69/4885KDM4E 663/4885MEN1 4701/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 TTK 369/4885KDM4E 887/4885MEN1 4857/4885

“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.