Sugi Predict

Sugi Predict / Compounds / SCHEMBL12780909

SCHEMBL12780909

SCHEMBL12780909

COc1cc(Nc2nc(N)n(-c3nc(C4CC4)cs3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.56
▸ AXL P30530 3/20 0.53
▸ AURKA O14965 2/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ INSR P06213 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ PLK4 O00444 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ LYN P07948 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
SCHEMBL4038683 0.84 FLT3 (0.61) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12780926 0.81 FLT3 (0.58) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12781032 0.74 FLT3 (0.60) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12780839 0.74 FLT3 (0.66) FLT3AXLAURKAJAK2IRAK4
SCHEMBL4036749 0.72 FLT3 (1.00) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12780994 0.72 FLT3 (0.57) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12780962 0.71 FLT3 (0.59) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12780955 0.71 FLT3 (0.62) FLT3AXLAURKAJAK2IRAK4
SCHEMBL4047467 0.71 FLT3 (0.80) FLT3AXLAURKAJAK2IRAK4
SCHEMBL12780897 0.71 FLT3 (0.58) FLT3AXLAURKAJAK2IRAK4

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 6 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
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 220/4885AXL 762/4885AURKA 181/4885

“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.