SCHEMBL4047466

SCHEMBL4047466

COc1cc(Nc2nc(N)nn2-c2ccncc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.53
BRAF P15056 7/20 0.50
PTK2 Q05397 5/20 0.48
AXL P30530 1/20 0.47
DHFR P00374 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL4037629 0.84 FLT3 (0.55) FLT3BRAFPTK2AXLDHFR
SCHEMBL12845287 0.84 FLT3 (0.49) FLT3BRAFPTK2AXLDHFR
SCHEMBL4047467 0.81 FLT3 (0.80) FLT3BRAFPTK2AXL
SCHEMBL12780857 0.74 GAA (0.47) FLT3AXLDHFR
SCHEMBL12780958 0.74 CYP3A4 (0.45) FLT3BRAFAXLDHFRTUBB4A
SCHEMBL4038395 0.73 FLT3 (0.44) FLT3BRAFPTK2AXL
SCHEMBL12780957 0.73 FLT3 (0.40) FLT3BRAFPTK2AXLDHFR
SCHEMBL12782555 0.73 FLT3 (0.47) FLT3BRAFPTK2AXLDHFR
SCHEMBL12780973 0.72 MAPT (0.42) FLT3BRAFPTK2AXLDHFR
SCHEMBL13963823 0.71 TUBB4A (0.42) FLT3BRAFPTK2AXLDHFR

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 220/4885BRAF 81/4885PTK2 207/4885

“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.