SCHEMBL12780458

SCHEMBL12780458

Nc1nc(Nc2ccccc2CCO)nn1-c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.49
KIT P10721 10/20 0.49
IRAK4 Q9NWZ3 6/20 0.49
AURKA O14965 3/20 0.49
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
HSF1 Q00613 1/20 0.41
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
MAPK10 P53779 1/20 0.36
AXL P30530 2/20 0.36
JAK2 O60674 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL12780372 0.90 FLT3 (0.51) FLT3KITIRAK4AURKALMNA
SCHEMBL12780369 0.88 FLT3 (0.53) FLT3KITIRAK4AURKALMNA
SCHEMBL12780457 0.86 CCNE1 (0.54) FLT3KITIRAK4AURKACCNE1
SCHEMBL12779811 0.84 FLT3 (0.50) FLT3KITIRAK4AURKALMNA
SCHEMBL12780169 0.83 FLT3 (0.51) FLT3KITIRAK4AURKALMNA
SCHEMBL12780242 0.83 FLT3 (0.53) FLT3KITIRAK4AURKACDK2
SCHEMBL12780304 0.80 FLT3 (0.48) FLT3KITIRAK4AURKALMNA
SCHEMBL12779832 0.80 FLT3 (0.70) FLT3KITIRAK4AURKALMNA
SCHEMBL12780641 0.79 FLT3 (0.45) FLT3KITIRAK4AURKACDK2
SCHEMBL12780299 0.79 FLT3 (0.48) FLT3KITIRAK4AURKALMNA

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 6 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
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.