SCHEMBL4040246

SCHEMBL4040246

Nc1nc(Nc2cccc(CN3CCOCC3)c2)nn1-c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.52
BACE1 P56817 3/20 0.52
PLK4 O00444 1/20 0.50
CDK1 P06493 1/20 0.48
KDR P35968 1/20 0.48
JAK2 O60674 4/20 0.47
JAK3 P52333 3/20 0.47
PTK2 Q05397 2/20 0.47
KIT P10721 3/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CSF1R P07333 2/20 0.45
TYK2 P29597 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
ULK2 Q8IYT8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NUAK1 O60285 1/20 0.44
STK16 O75716 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL4045377 0.89 BACE1 (0.59) FLT3BACE1PLK4CDK1JAK2
SCHEMBL4035821 0.83 FLT3 (0.66) FLT3PLK4CDK1KDRJAK2
SCHEMBL4038690 0.79 FLT3 (0.67) FLT3BACE1PLK4JAK2KIT
SCHEMBL4039530 0.75 BACE1 (0.61) FLT3BACE1KDRKITIRAK4
SCHEMBL270735 0.74 PLK4 (0.60) PLK4CDK1KDRJAK2JAK3
SCHEMBL4875509 0.73 PLK4 (0.64) FLT3PLK4CDK1KDRJAK2
SCHEMBL13901171 0.72 TBK1 (0.66) PLK4CDK1KDRJAK2JAK3
SCHEMBL4037761 0.71 FLT3 (0.74) FLT3BACE1PLK4KDRJAK2
SCHEMBL28153587 0.71 PLK4 (0.56) PLK4CDK1KDRJAK2JAK3
SCHEMBL29370869 0.70 CDK1 (0.63) PLK4CDK1KDRJAK2JAK3

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 220/4885BACE1 3044/4885PLK4 444/4885

“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.