Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048046

SCHEMBL4048046

SCHEMBL4048046

COc1ccccc1Nc1nc(N)n(-c2cc(NC3CCN(Cc4ccccc4)CC3)nc(C)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KIT P10721 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ AURKA O14965 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NSD2 O96028 6/20 0.47
▸ EZH2 Q15910 1/20 0.47
▸ ACHE P22303 3/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ EHMT2 Q96KQ7 3/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL12779942 0.89 KIT (0.59) ALDH1A1L3MBTL1KITFLT3IRAK4
SCHEMBL4040144 0.88 HRH3 (0.48) ALDH1A1L3MBTL1KITFLT3SMN1; SMN2
SCHEMBL4038708 0.87 FLT3 (0.55) ALDH1A1L3MBTL1KITFLT3IRAK4
SCHEMBL4047090 0.81 EHMT2 (0.48) KITFLT3IRAK4AURKANSD2
SCHEMBL4040588 0.80 EHMT2 (0.47) KITFLT3IRAK4AURKANSD2
SCHEMBL4038549 0.79 FLT3 (0.61) ALDH1A1L3MBTL1KITFLT3IRAK4
SCHEMBL12779908 0.75 FLT3 (0.64) ALDH1A1L3MBTL1KITFLT3IRAK4
SCHEMBL12779910 0.75 HRH3 (0.51) ALDH1A1L3MBTL1KITFLT3SMN1; SMN2
SCHEMBL12779965 0.74 KIT (0.59) ALDH1A1KITFLT3IRAK4AURKA
SCHEMBL4044430 0.74 MEN1 (0.44) KITFLT3MEN1KMT2ASMN1; SMN2

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 8 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
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 ALDH1A1 3235/4885L3MBTL1 3992/4885KIT 1144/4885

“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.