SCHEMBL4042943

SCHEMBL4042943

COc1cc(Nc2nc(N)n(-c3ccccc3F)n2)cc(OC)c1OCCCN1CC(C)OC(C)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.57
BACE1 P56817 4/20 0.50
AXL P30530 3/20 0.47
ATM Q13315 2/20 0.45
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
KIT P10721 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
IMPDH2 P12268 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4039530 0.83 BACE1 (0.61) FLT3BACE1AXLKITIRAK4
SCHEMBL4038191 0.82 FLT3 (0.58) FLT3BACE1AXLATMAURKA
SCHEMBL2088150 0.80 FLT3 (0.63) FLT3BACE1AXLAURKAJAK2
SCHEMBL4039143 0.80 FLT3 (0.80) FLT3BACE1AXLAURKAJAK2
SCHEMBL4036618 0.79 FLT3 (0.62) FLT3BACE1AXLAURKAJAK2
SCHEMBL4045424 0.78 FLT3 (0.70) FLT3BACE1AXLAURKAJAK2
SCHEMBL4039626 0.78 FLT3 (0.67) FLT3AXLATMAURKAJAK2
SCHEMBL12780000 0.74 FLT3 (0.49) FLT3BACE1AXLATMAURKA
SCHEMBL4044001 0.74 FLT3 (1.00) FLT3BACE1AXLAURKAJAK2
SCHEMBL4040972 0.73 FLT3 (0.57) FLT3BACE1AXLATMAURKA

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 220/4885BACE1 3044/4885AXL 762/4885

“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.