SCHEMBL5406809

SCHEMBL5406809

NCc1nccn2c(-c3cccc(N)c3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
KMT2A Q03164 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 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
SCHEMBL5411363 0.87 KDR (0.43) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5408046 0.86 BACE1 (0.53) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5401418 0.83 KDM4E (0.43) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5411413 0.83 PRMT5 (0.40) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5404863 0.82 KDR (0.43) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5618295 0.79 TTK (0.36) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5413859 0.79 KDM4E (0.59) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5406212 0.79 PRMT5 (0.47) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5401321 0.78 FLT3 (0.52) MEN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL5399692 0.77 CCNE1 (0.38) MEN1ALDH1A1KDM4ENPC1MAPT

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-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-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 MEN1 4701/4885ALDH1A1 2826/4885KDM4E 663/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 MEN1 4857/4885ALDH1A1 3118/4885KDM4E 887/4885

“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.