SCHEMBL4043077

SCHEMBL4043077

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.45
KIT P10721 6/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
IRAK4 Q9NWZ3 3/20 0.41
AURKA O14965 2/20 0.41
JAK2 O60674 1/20 0.41
GALR2 O43603 2/20 0.40
BRD4 O60885 2/20 0.40
AXL P30530 3/20 0.39
GALR1 P47211 1/20 0.39
INSR P06213 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL12779928 0.89 MAPT (0.55) FLT3KITTP53MAPTIRAK4
SCHEMBL2086901 0.87 FLT3 (0.47) FLT3KITTP53MAPTIRAK4
SCHEMBL12780057 0.86 FLT3 (0.49) FLT3KITIRAK4AURKAJAK2
SCHEMBL4043348 0.85 FLT3 (0.47) FLT3KITTP53MAPTIRAK4
SCHEMBL4037526 0.85 FLT3 (0.47) FLT3KITTP53MAPTIRAK4
SCHEMBL4040376 0.83 FLT3 (0.44) FLT3KITIRAK4AURKAJAK2
SCHEMBL4040465 0.82 LMNA (0.50) FLT3KITTP53MAPTIRAK4
SCHEMBL4038549 0.81 FLT3 (0.61) FLT3KITTP53MAPTIRAK4
SCHEMBL4036308 0.81 JAK2 (0.48) FLT3KITIRAK4AURKAJAK2
SCHEMBL4047577 0.79 FLT3 (0.42) FLT3KITIRAK4AURKAJAK2

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 1144/4885TP53 1315/4885

“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.