Sugi Predict

Sugi Predict / Compounds / SCHEMBL4045998

SCHEMBL4045998

SCHEMBL4045998

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc2c1OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.68
▸ KIT P10721 3/20 0.46
▸ IRAK4 Q9NWZ3 3/20 0.46
▸ AURKA O14965 2/20 0.46
▸ IMPDH2 P12268 1/20 0.43
▸ AXL P30530 2/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ EPHB4 P54760 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TUBB P07437 1/20 0.37

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
SCHEMBL4038352 0.83 FLT3 (0.80) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL2086558 0.83 FLT3 (0.80) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4042074 0.82 FLT3 (0.62) FLT3KITIRAK4AURKAJAK2
SCHEMBL2088943 0.81 FLT3 (1.00) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4040469 0.79 FLT3 (0.73) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4042662 0.79 FLT3 (0.72) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4042429 0.79 AXL (0.52) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4219839 0.79 AXL (0.70) FLT3KITIRAK4AURKAAXL
SCHEMBL4040721 0.78 AXL (0.51) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4046372 0.76 FLT3 (0.71) FLT3KITIRAK4AURKAIMPDH2

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 FLT3 220/4885KIT 1144/4885IRAK4 566/4885

“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.