SCHEMBL4039062

SCHEMBL4039062

COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2cc(N(C)CCN(C)C)ncn2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.62
KIT P10721 5/20 0.62
IRAK4 Q9NWZ3 4/20 0.62
AURKA O14965 2/20 0.62
ALK Q9UM73 4/20 0.47
INSR P06213 3/20 0.47
JAK2 O60674 1/20 0.46
LRRK2 Q5S007 1/20 0.46
PTK2 Q05397 1/20 0.46
TTK P33981 4/20 0.44
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FGFR3 P22607 1/20 0.42
ULK1 O75385 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
IGF1R P08069 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
SCHEMBL4039188 0.87 FLT3 (0.70) FLT3KITIRAK4AURKAALK
SCHEMBL12780733 0.83 FLT3 (0.57) FLT3KITIRAK4AURKAALK
SCHEMBL4041616 0.83 FLT3 (0.57) FLT3KITIRAK4AURKAALK
SCHEMBL4041296 0.83 FLT3 (0.73) FLT3KITIRAK4AURKAJAK2
SCHEMBL4041811 0.82 FLT3 (0.68) FLT3KITIRAK4AURKAALK
SCHEMBL4046914 0.80 FLT3 (0.54) FLT3KITIRAK4AURKAINSR
SCHEMBL4040811 0.79 FLT3 (0.86) FLT3KITIRAK4AURKAALK
SCHEMBL4045421 0.78 FLT3 (0.60) FLT3KITIRAK4AURKAALK
SCHEMBL12780730 0.78 FLT3 (0.60) FLT3KITIRAK4AURKAALK
SCHEMBL12780342 0.78 FLT3 (0.64) FLT3KITIRAK4AURKAALK

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.