Sugi Predict

Sugi Predict / Compounds / SCHEMBL4047065

SCHEMBL4047065

SCHEMBL4047065

COc1ccc(Nc2nc(N)n(-c3ncc(C)s3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.44
▸ FLT3 P36888 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AXL P30530 4/20 0.43
▸ AURKA O14965 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ PLK1 P53350 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SYK P43405 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL4038844 0.88 FLT3 (0.43) BACE1FLT3AXLAURKAJAK2
SCHEMBL4036635 0.87 PLK1 (0.45) FLT3MEN1KMT2AGAAAXL
SCHEMBL12780625 0.85 FLT3 (0.62) BACE1FLT3AXLAURKAJAK2
SCHEMBL12781032 0.82 FLT3 (0.60) FLT3AXLAURKAJAK2KIT
SCHEMBL12780127 0.81 SRC (0.56) BACE1FLT3AXLAURKAJAK2
SCHEMBL4041768 0.81 SRC (0.46) BACE1FLT3AXLAURKAJAK2
SCHEMBL4037206 0.80 FLT3 (0.46) BACE1FLT3MEN1KMT2AGAA
SCHEMBL4036648 0.80 FLT3 (0.62) FLT3MEN1KMT2AL3MBTL1AXL
SCHEMBL12780837 0.77 BACE1 (0.67) BACE1FLT3MEN1KMT2AGAA
SCHEMBL12781046 0.74 JAK1 (0.51) FLT3JAK2SYKEGFR

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-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 BACE1 3044/4885FLT3 220/4885MEN1 1392/4885

“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.