SCHEMBL4042636

SCHEMBL4042636

COc1cccc(-n2nc(Nc3ccc(OC)c(OC)c3)nc2N)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.80
KIT P10721 2/20 0.64
IRAK4 Q9NWZ3 2/20 0.64
AURKA O14965 1/20 0.64
JAK2 O60674 1/20 0.64
IMPDH2 P12268 1/20 0.56
AXL P30530 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
INSR P06213 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 1/20 0.42

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) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038992 0.88 FLT3 (0.80) FLT3KITIRAK4AURKAJAK2
SCHEMBL4048598 0.86 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038418 0.85 FLT3 (0.65) FLT3KITIRAK4AURKAJAK2
SCHEMBL4043451 0.84 FLT3 (0.63) FLT3KITIRAK4AURKAJAK2
SCHEMBL1475914 0.82 IMPDH2 (0.84) FLT3IMPDH2
SCHEMBL4040002 0.81 FLT3 (0.67) FLT3JAK2IMPDH2SMN1; SMN2ALDH1A1
SCHEMBL4038854 0.81 FLT3 (0.72) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038671 0.80 FLT3 (0.53) FLT3KITSMN1; SMN2ALDH1A1
SCHEMBL4037885 0.80 FLT3 (0.67) FLT3KITIRAK4AURKAJAK2

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.