SCHEMBL2086178

SCHEMBL2086178

Nc1nc(Nc2ccc3c(c2)OCO3)nn1-c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.59
KIT P10721 3/20 0.59
HPGD P15428 2/20 0.54
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
JAK2 O60674 1/20 0.44
LRRK2 Q5S007 1/20 0.44
TTK P33981 1/20 0.44
INSR P06213 1/20 0.44
AXL P30530 1/20 0.44
PLK4 O00444 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4043093 0.90 FLT3 (0.48) FLT3KITHPGDMAPTNPC1
SCHEMBL4045266 0.85 FLT3 (0.55) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL2088175 0.85 FLT3 (0.63) FLT3MAPTNPC1RAB9AALDH1A1
SCHEMBL4043706 0.83 MAPT (0.56) FLT3HPGDMAPTNPC1RAB9A
SCHEMBL4042646 0.82 FLT3 (0.52) FLT3HPGDMAPTNPC1RAB9A
SCHEMBL4042074 0.76 FLT3 (0.62) FLT3KITMAPTNPC1RAB9A
SCHEMBL4038186 0.75 FLT3 (0.70) FLT3KITHPGDALDH1A1SMN1; SMN2
SCHEMBL4037566 0.74 FLT3 (0.59) FLT3KITMAPTNPC1RAB9A
SCHEMBL12780666 0.74 FLT3 (1.00) FLT3KITJAK2LRRK2AXL
SCHEMBL4043317 0.74 FLT3 (0.52) FLT3KITSMN1; SMN2JAK2AXL

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 14 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-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
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-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
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 WO 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 (2 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 1144/4885HPGD 1347/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885KIT 1144/4885HPGD 1347/4885

“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.