SCHEMBL4042579

SCHEMBL4042579

COc1ccc(Nc2nc(N)n(-c3cc(Nc4cc(OC)ccc4C)ncn3)n2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.48
KIT P10721 5/20 0.48
IRAK4 Q9NWZ3 5/20 0.48
AURKA O14965 3/20 0.48
EGFR P00533 2/20 0.42
ERBB3 P21860 2/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK10 P53779 1/20 0.40
SLC34A1 Q06495 2/20 0.39
P2RX7 Q99572 1/20 0.38
PTK2 Q05397 1/20 0.38
ULK1 O75385 1/20 0.37
GALR2 O43603 1/20 0.37
AXL P30530 1/20 0.37
JAK2 O60674 1/20 0.37
LCK P06239 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
SCHEMBL4040010 0.93 FLT3 (0.54) FLT3KITIRAK4AURKAEGFR
SCHEMBL4038596 0.88 FLT3 (0.51) FLT3KITIRAK4AURKAEGFR
SCHEMBL12780241 0.81 FLT3 (0.52) FLT3KITIRAK4AURKAEGFR
SCHEMBL4046922 0.81 KIT (0.45) FLT3KITIRAK4AURKAAXL
SCHEMBL4039584 0.80 FLT3 (0.48) FLT3KITIRAK4AURKASLC34A1
SCHEMBL4038556 0.80 FLT3 (0.48) FLT3KITIRAK4AURKASLC34A1
SCHEMBL4039339 0.80 FLT3 (0.48) FLT3KITIRAK4AURKASLC34A1
SCHEMBL4043553 0.78 FLT3 (0.66) FLT3KITIRAK4AURKAPTK2
SCHEMBL12779833 0.77 FLT3 (0.59) FLT3KITIRAK4AURKAEGFR
SCHEMBL4042158 0.76 KIT (0.40) FLT3KITIRAK4AURKAEGFR

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.