SCHEMBL4040942

SCHEMBL4040942

Nc1nc(Nc2ccccc2)nn1-c1cc(NC2(CO)CCCC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.43
KIT P10721 8/20 0.43
AURKA O14965 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
AXL P30530 7/20 0.40
BACE1 P56817 6/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL12779811 0.82 FLT3 (0.50) FLT3KITAURKAIRAK4AXL
SCHEMBL4038537 0.80 FLT3 (0.46) FLT3KITAURKAIRAK4AXL
SCHEMBL4046922 0.79 KIT (0.45) FLT3KITAURKAIRAK4AXL
SCHEMBL12780304 0.78 FLT3 (0.48) FLT3KITAURKAIRAK4AXL
SCHEMBL4038128 0.78 FLT3 (0.47) FLT3KITAURKAIRAK4AXL
SCHEMBL12780457 0.78 CCNE1 (0.54) FLT3KITAURKAIRAK4AXL
SCHEMBL12780516 0.78 FLT3 (0.47) FLT3KITAURKAIRAK4AXL
SCHEMBL12780020 0.77 KIT (0.52) FLT3KITAURKAIRAK4AXL
SCHEMBL4038722 0.77 FLT3 (0.44) FLT3KITAURKAIRAK4AXL
SCHEMBL12780389 0.77 FLT3 (0.44) FLT3KITAURKAIRAK4AXL

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-1794276-B1 LAUNDRY TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2009-04-29 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 FLT3 220/4885KIT 1144/4885AURKA 181/4885

“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.