Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041768

SCHEMBL4041768

SCHEMBL4041768

Cc1cc(C)cc(Nc2nc(N)n(-c3ncc(C)s3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.46
▸ ZAP70 P43403 5/20 0.46
▸ SYK P43405 5/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ KDR P35968 2/20 0.40
▸ FLT3 P36888 7/20 0.39
▸ AXL P30530 1/20 0.38
▸ KIT P10721 3/20 0.36
▸ AURKA O14965 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL4038844 0.85 FLT3 (0.43) SRCZAP70SYKCDK2FLT3
SCHEMBL12781032 0.83 FLT3 (0.60) CDK2KDRFLT3AXLKIT
SCHEMBL4047065 0.81 BACE1 (0.44) SYKFLT3AXLKITAURKA
SCHEMBL12780625 0.80 FLT3 (0.62) KDRFLT3AXLKITAURKA
SCHEMBL4042826 0.80 SRC (0.41) SRCZAP70SYKCDK2KDR
SCHEMBL4046887 0.80 SRC (0.47) SRCZAP70SYKCDK2KDR
SCHEMBL4036635 0.79 PLK1 (0.45) SYKCDK2FLT3AXLKIT
SCHEMBL12780127 0.79 SRC (0.56) SRCZAP70SYKCDK2KDR
SCHEMBL4038482 0.78 SRC (0.44) SRCZAP70SYKCDK2KDR
SCHEMBL12781046 0.78 JAK1 (0.51) SYKCDK2FLT3JAK2

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 SRC 308/4885ZAP70 515/4885SYK 782/4885

“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.