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SCHEMBL4038352

SCHEMBL4038352

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.80
▸ AXL P30530 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ AURKA O14965 2/20 0.48
▸ KIT P10721 2/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.48
▸ IMPDH2 P12268 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ GAK O14976 2/20 0.45
▸ RIPK2 O43353 2/20 0.45
▸ COQ8A Q8NI60 2/20 0.45
▸ NLK Q9UBE8 2/20 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
SCHEMBL2086558 0.91 FLT3 (0.80) FLT3AXLSMN1; SMN2AURKAKIT
SCHEMBL4040469 0.91 FLT3 (0.73) FLT3AXLSMN1; SMN2AURKAKIT
SCHEMBL2088943 0.89 FLT3 (1.00) FLT3AXLSMN1; SMN2AURKAKIT
SCHEMBL4042878 0.89 FLT3 (0.65) FLT3AXLSMN1; SMN2AURKAKIT
SCHEMBL4038836 0.88 FLT3 (0.81) FLT3AXLSMN1; SMN2AURKAKIT
SCHEMBL4040965 0.87 FLT3 (0.61) FLT3AXLSMN1; SMN2AURKAKIT
SCHEMBL4042662 0.86 FLT3 (0.72) FLT3AXLAURKAKITIRAK4
SCHEMBL4043027 0.86 FLT3 (0.61) FLT3AXLAURKAKITIRAK4
SCHEMBL4036384 0.85 FLT3 (0.60) FLT3AXLAURKAKITIRAK4
SCHEMBL4036749 0.85 FLT3 (1.00) FLT3AXLSMN1; SMN2AURKAKIT

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 8 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
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 — — CN 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 220/4885AXL 762/4885SMN1; 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.