SCHEMBL4038992

SCHEMBL4038992

COc1ccc(-n2nc(Nc3ccc(OC)c(OC)c3)nc2N)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.80
AURKA O14965 1/20 0.64
JAK2 O60674 1/20 0.64
KIT P10721 1/20 0.64
IRAK4 Q9NWZ3 1/20 0.64
IMPDH2 P12268 1/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
AXL P30530 3/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
INSR P06213 1/20 0.47
KDR P35968 1/20 0.47
EIF2AK4 Q9P2K8 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL4039263 0.89 FLT3 (1.00) FLT3AURKAJAK2KITIRAK4
SCHEMBL4042636 0.88 FLT3 (0.80) FLT3AURKAJAK2KITIRAK4
SCHEMBL2088943 0.86 FLT3 (1.00) FLT3AURKAJAK2KITIRAK4
SCHEMBL4036811 0.85 FLT3 (0.72) FLT3AURKAJAK2KITIRAK4
SCHEMBL12779220 0.85 FLT3 (1.00) FLT3AURKAJAK2KITIRAK4
SCHEMBL4039213 0.82 FLT3 (0.64) FLT3AURKAJAK2KITIRAK4
SCHEMBL4037885 0.82 FLT3 (0.67) FLT3AURKAJAK2KITIRAK4
SCHEMBL4038398 0.81 FLT3 (0.62) FLT3AURKAJAK2KITIRAK4
SCHEMBL12779223 0.81 FLT3 (0.53) FLT3JAK2IMPDH2CA12CA1
SCHEMBL4048598 0.79 FLT3 (1.00) FLT3AURKAJAK2KITIRAK4

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 220/4885AURKA 181/4885JAK2 112/4885

“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.