SCHEMBL4043938

SCHEMBL4043938

Nc1nc(Nc2ccc(F)cc2F)nn1-c1cc(NCCN2CCCC2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
KIT P10721 1/20 0.51
FLT3 P36888 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
AXL P30530 9/20 0.46
INSR P06213 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
BACE1 P56817 9/20 0.42
CSF1R P07333 1/20 0.40
MAP4K4 O95819 2/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL4037223 0.83 KIT (0.74) AURKAKITFLT3IRAK4AXL
SCHEMBL4044855 0.81 AURKA (0.50) AURKAKITFLT3IRAK4AXL
SCHEMBL4038076 0.78 FLT3 (0.56) KITFLT3IRAK4AXLINSR
SCHEMBL12780440 0.78 FLT3 (0.49) AURKAKITFLT3IRAK4AXL
SCHEMBL4042194 0.77 FLT3 (0.46) AURKAKITFLT3IRAK4AXL
SCHEMBL4039634 0.76 FLT3 (0.45) AURKAKITFLT3IRAK4AXL
SCHEMBL4037438 0.74 FLT3 (0.77) AURKAKITFLT3IRAK4MAP4K4
SCHEMBL4040887 0.73 FLT3 (0.44) AURKAKITFLT3IRAK4AXL
SCHEMBL4043675 0.73 AXL (0.45) AURKAKITFLT3IRAK4AXL
SCHEMBL14369684 0.72 FLT3 (0.64) AURKAKITFLT3IRAK4AXL

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 AURKA 181/4885KIT 1144/4885FLT3 220/4885

“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.