SCHEMBL4036308

SCHEMBL4036308

Cc1nc(Nc2ccccc2)cc(-n2nc(Nc3cccc(N(C)C)c3)nc2N)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
JAK3 P52333 2/20 0.48
FLT3 P36888 12/20 0.45
KIT P10721 6/20 0.45
KDM1A O60341 1/20 0.41
AURKA O14965 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
MAP3K5 Q99683 1/20 0.39
AXL P30530 2/20 0.39
BACE1 P56817 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2086901 0.89 FLT3 (0.47) JAK2JAK1TYK2JAK3FLT3
SCHEMBL4043348 0.87 FLT3 (0.47) JAK2FLT3KITAURKAIRAK4
SCHEMBL4037526 0.87 FLT3 (0.47) JAK2JAK1TYK2JAK3FLT3
SCHEMBL4040465 0.85 LMNA (0.50) JAK2FLT3KITAURKAIRAK4
SCHEMBL12779928 0.84 MAPT (0.55) JAK2FLT3KITAURKAIRAK4
SCHEMBL4043077 0.81 FLT3 (0.45) JAK2FLT3KITAURKAIRAK4
SCHEMBL4047577 0.79 FLT3 (0.42) JAK2JAK1TYK2JAK3FLT3
SCHEMBL12781962 0.79 FLT3 (0.48) JAK2JAK1TYK2JAK3FLT3
SCHEMBL12779081 0.79 FLT3 (0.48) JAK2JAK1TYK2JAK3FLT3
SCHEMBL4038549 0.78 FLT3 (0.61) JAK2JAK3FLT3KITAURKA

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 JAK2 112/4885JAK1 173/4885TYK2 313/4885

“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.