SCHEMBL4046134

SCHEMBL4046134

Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(NC2(CO)CCCC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.52
KIT P10721 5/20 0.52
IRAK4 Q9NWZ3 4/20 0.52
JAK2 O60674 1/20 0.52
AURKA O14965 2/20 0.47
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
PIK3R1 P27986 7/20 0.39
PIK3CA P42336 7/20 0.39
AXL P30530 2/20 0.37
INSR P06213 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
BACE1 P56817 1/20 0.36
JAK3 P52333 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
SCHEMBL4036472 0.84 FLT3 (0.53) FLT3KITIRAK4JAK2AURKA
SCHEMBL4036467 0.84 FLT3 (0.53) FLT3KITIRAK4JAK2AURKA
SCHEMBL4046922 0.83 KIT (0.45) FLT3KITIRAK4JAK2AURKA
SCHEMBL4038053 0.82 FLT3 (0.51) FLT3KITIRAK4JAK2AURKA
SCHEMBL4038050 0.82 FLT3 (0.51) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780406 0.82 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780407 0.82 FLT3 (0.54) FLT3KITIRAK4JAK2AURKA
SCHEMBL4042249 0.81 FLT3 (0.54) FLT3KITIRAK4JAK2AURKA
SCHEMBL4042254 0.81 FLT3 (0.54) FLT3KITIRAK4JAK2AURKA
SCHEMBL4043796 0.81 FLT3 (0.61) 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 11 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-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 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
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP 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 (3 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
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO FLT3 291/4885KIT 18/4885IRAK4 3844/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 FLT3 2380/4885KIT 49/4885IRAK4 3993/4885

“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.