SCHEMBL4036856

SCHEMBL4036856

Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nn1-c1cc(N2CCC(CO)CC2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.54
KIT P10721 4/20 0.54
IRAK4 Q9NWZ3 3/20 0.54
JAK2 O60674 1/20 0.54
AURKA O14965 1/20 0.49
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
AXL P30530 5/20 0.39
LRRK2 Q5S007 2/20 0.39
EGFR P00533 1/20 0.39
BACE1 P56817 2/20 0.39
TBK1 Q9UHD2 1/20 0.38
INSR P06213 1/20 0.37
JAK3 P52333 1/20 0.37
KDR P35968 1/20 0.37
BTK Q06187 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 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
SCHEMBL4043570 0.88 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780661 0.88 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780659 0.88 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780603 0.87 KIT (0.39) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780655 0.87 FLT3 (0.52) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780653 0.87 FLT3 (0.52) FLT3KITIRAK4JAK2AURKA
SCHEMBL4038317 0.87 FLT3 (0.52) FLT3KITIRAK4JAK2AURKA
SCHEMBL4042158 0.84 KIT (0.40) FLT3KITIRAK4JAK2AURKA
SCHEMBL4043796 0.83 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL4036472 0.81 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 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 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.