Sugi Predict

Sugi Predict / Compounds / SCHEMBL4038844

SCHEMBL4038844

SCHEMBL4038844

COc1cc(Nc2nc(N)n(-c3ncc(C)s3)n2)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.43
▸ AXL P30530 1/20 0.43
▸ SRC P12931 2/20 0.41
▸ ZAP70 P43403 2/20 0.41
▸ SYK P43405 2/20 0.41
▸ KIT P10721 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36

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
SCHEMBL12780127 0.90 SRC (0.56) FLT3AXLSRCZAP70SYK
SCHEMBL4036635 0.89 PLK1 (0.45) FLT3AXLSYKKITIRAK4
SCHEMBL4047065 0.88 BACE1 (0.44) FLT3AXLSYKKITIRAK4
SCHEMBL12781032 0.86 FLT3 (0.60) FLT3AXLKITIRAK4AURKA
SCHEMBL4041768 0.85 SRC (0.46) FLT3AXLSRCZAP70SYK
SCHEMBL12780625 0.83 FLT3 (0.62) FLT3AXLKITIRAK4AURKA
SCHEMBL4039753 0.81 ZAP70 (0.37) AXLSRCZAP70SYKHDAC3
SCHEMBL4043372 0.80 ZAP70 (0.50) FLT3AXLSRCZAP70SYK
SCHEMBL4036648 0.80 FLT3 (0.62) FLT3AXLKITIRAK4AURKA
SCHEMBL4043057 0.76 BACE1 (0.58) FLT3AXLKITIRAK4AURKA

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 220/4885AXL 762/4885SRC 308/4885

“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.