SCHEMBL12780409

SCHEMBL12780409

Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(Nc2cccc(F)c2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.57
KIT P10721 5/20 0.57
IRAK4 Q9NWZ3 3/20 0.57
JAK2 O60674 1/20 0.57
AURKA O14965 1/20 0.49
KDM4E B2RXH2 2/20 0.45
MAPK10 P53779 3/20 0.45
MAPK9 P45984 2/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
AXL P30530 2/20 0.43
MAPK1 P28482 2/20 0.42
JAK3 P52333 1/20 0.42
NTRK1 P04629 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12780406 0.93 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL12845295 0.89 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL4041943 0.89 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA
SCHEMBL4043796 0.84 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780638 0.83 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780407 0.83 FLT3 (0.54) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780175 0.82 FLT3 (0.68) FLT3KITIRAK4JAK2AURKA
SCHEMBL4038073 0.82 FLT3 (0.59) FLT3KITIRAK4JAK2AURKA
SCHEMBL4036467 0.82 FLT3 (0.53) FLT3KITIRAK4JAK2AURKA
SCHEMBL4036472 0.82 FLT3 (0.53) FLT3KITIRAK4JAK2AURKA

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 6 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
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.