SCHEMBL4038671

SCHEMBL4038671

COC(=O)c1cccc(Nc2nc(N)n(-c3cccc(OC)c3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.53
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
TYK2 P29597 3/20 0.48
JAK1 P23458 2/20 0.48
ROCK1 Q13464 1/20 0.48
SCN9A Q15858 1/20 0.46
KIT P10721 1/20 0.46
CSNK2A1 P68400 1/20 0.45
LMNA P02545 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 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
SCHEMBL4036497 0.92 FLT3 (0.58) FLT3ALDH1A1SMN1; SMN2TP53TYK2
SCHEMBL4044163 0.90 FLT3 (0.61) FLT3ALDH1A1SMN1; SMN2TP53TYK2
SCHEMBL4038418 0.84 FLT3 (0.65) FLT3ALDH1A1SMN1; SMN2KITLMNA
SCHEMBL4040002 0.84 FLT3 (0.67) FLT3ALDH1A1SMN1; SMN2TYK2JAK1
SCHEMBL4042636 0.80 FLT3 (0.80) FLT3ALDH1A1SMN1; SMN2KIT
SCHEMBL4041751 0.80 FLT3 (0.72) FLT3TYK2JAK1ROCK1KIT
SCHEMBL4043451 0.78 FLT3 (0.63) FLT3ALDH1A1SMN1; SMN2SCN9AKIT
SCHEMBL4037275 0.77 FLT3 (0.56) FLT3ALDH1A1TP53KITLMNA
SCHEMBL12780845 0.77 AXL (0.52) FLT3ALDH1A1SMN1; SMN2TP53TYK2
SCHEMBL5928456 0.76 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2TP53

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 220/4885ALDH1A1 3235/4885SMN1; SMN2 3129/4885

“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.