SCHEMBL4043908

SCHEMBL4043908

COc1cc(Nc2nc(N)n(-c3cccc(N4CCOCC4)c3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 1.00
KIT P10721 4/20 0.56
IRAK4 Q9NWZ3 3/20 0.56
AXL P30530 3/20 0.56
AURKA O14965 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
IMPDH2 P12268 1/20 0.47
ZAP70 P43403 1/20 0.47
ALK Q9UM73 1/20 0.46
JAK2 O60674 3/20 0.45
INSR P06213 1/20 0.45
KDR P35968 1/20 0.45
JAK3 P52333 1/20 0.44
PTK2 Q05397 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
SCHEMBL4036749 0.82 FLT3 (1.00) FLT3KITIRAK4AXLAURKA
SCHEMBL12845210 0.79 FLT3 (0.72) FLT3KITIRAK4AXLAURKA
SCHEMBL4038836 0.79 FLT3 (0.81) FLT3KITIRAK4AXLAURKA
SCHEMBL12780722 0.77 FLT3 (0.62) FLT3KITIRAK4AXLAURKA
SCHEMBL4047467 0.77 FLT3 (0.80) FLT3KITIRAK4AXLAURKA
SCHEMBL4036725 0.76 FLT3 (0.62) FLT3KITIRAK4AXLJAK2
SCHEMBL4042120 0.75 FLT3 (0.73) FLT3KITIRAK4AXLJAK2
SCHEMBL12779915 0.74 FLT3 (0.59) FLT3KITIRAK4AXLAURKA
SCHEMBL4036360 0.74 FLT3 (0.67) FLT3KITIRAK4AURKAZAP70
SCHEMBL4038352 0.73 FLT3 (0.80) FLT3KITIRAK4AXLAURKA

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 9 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-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO 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.