SCHEMBL12780906

SCHEMBL12780906

COc1cc(Nc2nc(N)n(-c3nc4ccc(S(C)(=O)=O)cc4s3)n2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.53
AXL P30530 1/20 0.50
GAK O14976 1/20 0.46
PTK2 Q05397 2/20 0.43
KDM4E B2RXH2 5/20 0.42
RXFP1 Q9HBX9 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.40
AURKA O14965 1/20 0.39
JAK2 O60674 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
SCHEMBL12780962 0.87 FLT3 (0.59) FLT3AXLBACE1AURKAJAK2
SCHEMBL12780897 0.86 FLT3 (0.58) FLT3AXLMEN1RAB9AKMT2A
SCHEMBL12780905 0.86 FLT3 (0.58) FLT3AXLMEN1KMT2AMAPT
SCHEMBL12780888 0.85 FLT3 (0.57) FLT3AXLGAKBACE1AURKA
SCHEMBL12780890 0.85 FLT3 (0.57) FLT3AXLGAKKMT2ABACE1
SCHEMBL12780924 0.85 FLT3 (0.52) FLT3AXLPTK2ALDH1A1MEN1
SCHEMBL12780839 0.84 FLT3 (0.66) FLT3AXLMEN1KMT2ABACE1
SCHEMBL12780922 0.83 FLT3 (0.54) FLT3AXLGAKPTK2BACE1
SCHEMBL12780911 0.81 FLT3 (0.52) FLT3AXLTP53RAB9AHSD17B10
SCHEMBL12780994 0.79 FLT3 (0.57) FLT3AXLGAKBACE1AURKA

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 220/4885AXL 762/4885GAK 188/4885

“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.