Sugi Predict

Sugi Predict / Compounds / SCHEMBL4044514

SCHEMBL4044514

SCHEMBL4044514

CN1CCN(c2cc(-n3nc(Nc4cccc5c4CCC5)nc3N)ncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.46
▸ KIT P10721 6/20 0.40
▸ IRAK4 Q9NWZ3 6/20 0.40
▸ AURKA O14965 3/20 0.40
▸ AXL P30530 5/20 0.40
▸ INSR P06213 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ HRH4 Q9H3N8 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ MERTK Q12866 1/20 0.36

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
SCHEMBL4038443 0.89 FLT3 (0.44) FLT3KITIRAK4AURKAAXL
SCHEMBL4046935 0.84 FLT3 (0.45) FLT3KITIRAK4AURKAAXL
SCHEMBL12780692 0.81 FLT3 (0.42) FLT3KITIRAK4AURKAAXL
SCHEMBL12780498 0.81 FLT3 (0.46) FLT3KITIRAK4AURKAAXL
SCHEMBL4037845 0.81 FLT3 (0.61) FLT3KITIRAK4AURKAAXL
SCHEMBL4044855 0.81 AURKA (0.50) FLT3KITIRAK4AURKAAXL
SCHEMBL12782391 0.80 FLT3 (0.44) FLT3KITIRAK4AURKAAXL
SCHEMBL4042194 0.79 FLT3 (0.46) FLT3KITIRAK4AURKAAXL
SCHEMBL4046831 0.78 FLT3 (0.63) FLT3KITIRAK4AURKAAXL
SCHEMBL4039049 0.76 FLT3 (0.63) FLT3KITIRAK4AURKAAXL

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.