SCHEMBL12845487

SCHEMBL12845487

COc1cc(OC)c(Nc2nc(N)n(-c3cc(NC4CCCCC4)ncn3)n2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.49
KIT P10721 5/20 0.49
IRAK4 Q9NWZ3 5/20 0.49
AURKA O14965 3/20 0.49
S1PR1 P21453 4/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
AXL P30530 4/20 0.38
JAK2 O60674 1/20 0.38
INSR P06213 3/20 0.37
KDR P35968 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TTK P33981 1/20 0.36
KCNN2 Q9H2S1 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
FAAH O00519 1/20 0.36
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL12779856 0.90 FLT3 (0.49) FLT3KITIRAK4AURKAS1PR1
SCHEMBL14399400 0.88 FLT3 (0.49) FLT3KITIRAK4AURKAS1PR1
SCHEMBL12779908 0.88 FLT3 (0.64) FLT3KITIRAK4AURKAAXL
SCHEMBL12779850 0.87 KIT (0.52) FLT3KITIRAK4AURKAS1PR1
SCHEMBL13963811 0.86 FLT3 (0.47) FLT3KITIRAK4AURKAS1PR1
SCHEMBL12779962 0.79 FLT3 (0.62) FLT3KITIRAK4AURKAAXL
SCHEMBL12779937 0.79 MEN1 (0.44) FLT3KITIRAK4AURKAPDGFRB
SCHEMBL4038708 0.77 FLT3 (0.55) FLT3KITIRAK4AURKAAXL
SCHEMBL12779955 0.76 FLT3 (0.61) FLT3KITIRAK4AURKAAXL
SCHEMBL12779942 0.75 KIT (0.59) FLT3KITIRAK4AURKAMEN1

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 2 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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.