SCHEMBL5618766

SCHEMBL5618766

CNc1nccn2c(-c3ccc(C(=O)N4CCN(C)CC4)s3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPKAPK5 Q8IW41 3/20 0.45
▸ FLT3 P36888 5/20 0.43
▸ ERN1 O75460 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ TTK P33981 4/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL5618288 0.89 MAPKAPK5 (0.55) NPC1ALDH1A1RAB9AMAPKAPK5FLT3
SCHEMBL5618266 0.85 L3MBTL3 (0.51) ALDH1A1MAPKAPK5FLT3TTK
SCHEMBL5618395 0.83 FLT3 (0.49) KDM4ENPC1ALDH1A1RAB9AMAPKAPK5
SCHEMBL5617937 0.81 FLT3 (0.47) MAPKAPK5FLT3ADORA3TTKNEK2
SCHEMBL5618210 0.80 MAPKAPK5 (0.39) ALDH1A1MAPKAPK5FLT3ADORA3TTK
SCHEMBL14573309 0.76 MAPKAPK5 (0.50) MAPKAPK5FLT3ADORA3TTK
SCHEMBL5618824 0.73 FLT3 (0.53) ALDH1A1MAPKAPK5FLT3ADORA3TTK
SCHEMBL14573306 0.73 AKT3 (0.44) MAPKAPK5FLT3TTK
SCHEMBL4392861 0.72 MAPKAPK5 (0.70) MAPKAPK5FLT3
SCHEMBL1674229 0.71 MAPKAPK5 (0.82) MAPKAPK5FLT3NEK2

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-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 — — US claimed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 — — 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-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 — — US disclosed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 — — 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-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 KDM4E 663/4885NPC1 1512/4885ALDH1A1 2826/4885

“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.

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