SCHEMBL4044251

SCHEMBL4044251

CCOc1cccc(Nc2nc(N)n(-c3ccccc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.60
SYK P43405 1/20 0.49
IMPDH2 P12268 1/20 0.48
KIT P10721 2/20 0.47
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.45
JAK2 O60674 2/20 0.45
AURKA O14965 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
ALDH1A1 P00352 1/20 0.44
BRD4 O60885 2/20 0.43
PTK6 Q13882 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4041081 0.87 FLT3 (0.56) FLT3SYKIMPDH2KITLMNA
SCHEMBL4039280 0.87 FLT3 (0.60) FLT3IMPDH2LMNAMAPK1GLA
SCHEMBL4040880 0.85 FLT3 (0.66) FLT3SYKKITJAK2AURKA
SCHEMBL12780256 0.83 FLT3 (0.49) FLT3SYKKITJAK2AURKA
SCHEMBL4037275 0.83 FLT3 (0.56) FLT3SYKIMPDH2KITLMNA
SCHEMBL4040549 0.82 FLT3 (0.55) FLT3SYKIMPDH2KITMAPK1
SCHEMBL4038418 0.81 FLT3 (0.65) FLT3IMPDH2KITLMNAJAK2
SCHEMBL4047768 0.79 FLT3 (0.64) FLT3IMPDH2LMNAMAPK1GLA
SCHEMBL13514058 0.77 MAPT (0.49) SYKLMNAAURKABRD4PTK6
SCHEMBL4039312 0.76 FLT3 (0.62) FLT3IMPDH2KITLMNAMAPK1

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 220/4885SYK 782/4885IMPDH2 1200/4885

“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.