Sugi Predict

Sugi Predict / Compounds / SCHEMBL4037526

SCHEMBL4037526

SCHEMBL4037526

Cc1nc(Nc2ccccc2)cc(-n2nc(Nc3cccc(N)c3)nc2N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.47
▸ KIT P10721 6/20 0.47
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AXL P30530 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL2086901 0.93 FLT3 (0.47) FLT3KITMAPTLMNAAURKA
SCHEMBL4043348 0.91 FLT3 (0.47) FLT3KITMAPTLMNAAURKA
SCHEMBL4040465 0.89 LMNA (0.50) FLT3KITMAPTLMNAAURKA
SCHEMBL4036308 0.87 JAK2 (0.48) FLT3KITAURKAJAK2IRAK4
SCHEMBL12779928 0.87 MAPT (0.55) FLT3KITMAPTAURKAJAK2
SCHEMBL4040822 0.86 FLT3 (0.45) FLT3KITMAPTLMNAAURKA
SCHEMBL4043077 0.85 FLT3 (0.45) FLT3KITMAPTAURKAJAK2
SCHEMBL12780044 0.83 FLT3 (0.48) FLT3KITMAPTLMNAAURKA
SCHEMBL4047577 0.83 FLT3 (0.42) FLT3KITAURKAJAK2IRAK4
SCHEMBL12781962 0.82 FLT3 (0.48) FLT3KITAURKAJAK2IRAK4

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 1144/4885MAPT 937/4885

“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.