SCHEMBL4046372

SCHEMBL4046372

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)ccc1N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.71
KIT P10721 3/20 0.59
IRAK4 Q9NWZ3 2/20 0.59
AURKA O14965 1/20 0.59
TNIK Q9UKE5 4/20 0.54
KCNH2 Q12809 2/20 0.54
IMPDH2 P12268 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
AXL P30530 1/20 0.45
IGF1R P08069 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL4040180 0.91 FLT3 (0.60) FLT3KITIRAK4AURKATNIK
SCHEMBL4044990 0.85 FLT3 (0.62) FLT3KITIRAK4AURKAMAPK8
SCHEMBL2088943 0.84 FLT3 (1.00) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL12780722 0.81 FLT3 (0.62) FLT3KITIRAK4AURKATNIK
SCHEMBL4043508 0.80 FLT3 (0.61) FLT3KITIRAK4AURKAAXL
SCHEMBL4043223 0.80 FLT3 (0.60) FLT3KITIRAK4AURKAAXL
SCHEMBL2086558 0.80 FLT3 (0.80) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4038352 0.80 FLT3 (0.80) FLT3KITIRAK4AURKAIMPDH2
SCHEMBL4038957 0.79 FLT3 (0.71) FLT3KITIRAK4AURKAAXL
SCHEMBL12779915 0.79 FLT3 (0.59) FLT3KITIRAK4AURKAAXL

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.