SCHEMBL4046957

SCHEMBL4046957

CCCNc1nc(N)cc(-n2nc(Nc3ccccc3)nc2N)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.45
FLT3 P36888 8/20 0.43
KIT P10721 5/20 0.43
AXL P30530 2/20 0.42
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38

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
SCHEMBL4037367 0.91 FLT3 (0.45) KCNH3FLT3KITAXLAURKA
SCHEMBL4047231 0.90 KCNH3 (0.44) KCNH3FLT3KITAXLAURKA
SCHEMBL4043320 0.84 FLT3 (0.47) FLT3KITAXLAURKAJAK2
SCHEMBL12781962 0.81 FLT3 (0.48) FLT3KITAXLAURKAJAK2
SCHEMBL4037535 0.81 FLT3 (0.44) FLT3KITAXLAURKAJAK2
SCHEMBL4045566 0.79 FLT3 (0.43) FLT3KITAXLAURKAJAK2
SCHEMBL12780181 0.78 FLT3 (0.46) FLT3KITAXLAURKAJAK2
SCHEMBL12780253 0.74 FLT3 (0.49) FLT3KITAXLAURKAJAK2
SCHEMBL4036883 0.74 FLT3 (0.47) FLT3KITAXLAURKAJAK2
SCHEMBL12779081 0.73 FLT3 (0.48) FLT3KITAXLAURKAJAK2

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 KCNH3 1499/4885FLT3 220/4885KIT 1144/4885

“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.