SCHEMBL4040935

SCHEMBL4040935

CCN1CCN(c2cc(-n3nc(Nc4ccc(N5CCOCC5)cc4)nc3N)ncn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.60
KIT P10721 7/20 0.60
BACE1 P56817 2/20 0.52
AXL P30530 5/20 0.52
IRAK4 Q9NWZ3 3/20 0.49
ZAP70 P43403 1/20 0.48
JAK2 O60674 2/20 0.47
KDR P35968 2/20 0.47
INSR P06213 1/20 0.47
AURKA O14965 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL4045933 0.91 FLT3 (0.70) FLT3KITBACE1AXLIRAK4
SCHEMBL4046489 0.90 FLT3 (0.64) FLT3KITBACE1AXLIRAK4
SCHEMBL14275569 0.88 FLT3 (0.65) FLT3KITBACE1AXLIRAK4
SCHEMBL4040643 0.87 FLT3 (0.60) FLT3KITBACE1AXLIRAK4
SCHEMBL2087422 0.87 FLT3 (0.64) FLT3KITBACE1AXLIRAK4
SCHEMBL4036234 0.86 FLT3 (0.60) FLT3KITBACE1AXLIRAK4
SCHEMBL4037605 0.85 FLT3 (0.58) FLT3KITBACE1AXLIRAK4
SCHEMBL4041517 0.85 FLT3 (0.54) FLT3KITBACE1AXLIRAK4
SCHEMBL4036171 0.85 FLT3 (0.60) FLT3KITBACE1AXLIRAK4
SCHEMBL13963948 0.84 FLT3 (0.69) FLT3KITBACE1AXLIRAK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
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 1144/4885BACE1 3044/4885

“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.