SCHEMBL5408732

SCHEMBL5408732

Brc1cnc2c(NCCN3CCOCC3)nccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.59
▸ FLT3 P36888 5/20 0.58
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL5408035 0.83 FLT3 (0.69) ADORA3FLT3ALDH1A1HPGDNPC1
SCHEMBL12272218 0.82 FLT3 (0.68) ADORA3FLT3ALDH1A1HPGDNPC1
SCHEMBL8246200 0.81 FLT3 (0.57) ADORA3FLT3
SCHEMBL12271835 0.77 FLT3 (0.68) ADORA3FLT3ALDH1A1HPGDCYP1A2
SCHEMBL5394360 0.76 FLT3 (0.56) ADORA3FLT3
SCHEMBL12273036 0.76 FLT3 (0.67) ADORA3FLT3ALDH1A1CYP1A2CYP3A4
SCHEMBL9940984 0.75 TTK (0.75) ADORA3FLT3
SCHEMBL19124407 0.75 ADORA3 (1.00) ADORA3
SCHEMBL12271994 0.74 FLT3 (1.00) ADORA3FLT3LMNA
SCHEMBL8250021 0.73 CYP1A2 (0.56) FLT3ALDH1A1HPGDCYP1A2CYP3A4

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 7 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 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-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 ADORA3 2912/4885FLT3 216/4885ALDH1A1 2826/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 ADORA3 2383/4885FLT3 215/4885ALDH1A1 3118/4885

“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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