SCHEMBL4043844

SCHEMBL4043844

COc1ccc(OC)c(Nc2nc(N)n(-c3nccs3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.49
KIT P10721 4/20 0.49
IRAK4 Q9NWZ3 4/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
AURKA O14965 2/20 0.44
JAK2 O60674 1/20 0.44
AXL P30530 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 6/20 0.41
GAA P10253 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 3/20 0.41

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
SCHEMBL4037162 0.92 FLT3 (0.49) FLT3KITIRAK4NPC1RAB9A
SCHEMBL4038353 0.86 FLT3 (0.67) FLT3KITIRAK4NPC1RAB9A
SCHEMBL4037206 0.83 FLT3 (0.46) FLT3KITIRAK4NPC1RAB9A
SCHEMBL4044502 0.83 FLT3 (0.65) FLT3KITIRAK4AURKAJAK2
SCHEMBL4046539 0.82 CYP1A1 (0.49) FLT3KITIRAK4NPC1RAB9A
SCHEMBL4043372 0.81 ZAP70 (0.50) FLT3KITIRAK4AURKAJAK2
SCHEMBL4038754 0.80 FLT3 (0.53) FLT3KITIRAK4AURKAJAK2
SCHEMBL4040889 0.80 FLT3 (0.78) FLT3KITIRAK4NPC1RAB9A
SCHEMBL12780893 0.78 BACE1 (0.52) FLT3KITIRAK4NPC1RAB9A
SCHEMBL4047573 0.74 FLT3 (0.70) FLT3KITIRAK4NPC1RAB9A

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 1144/4885IRAK4 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.