Sugi Predict

Sugi Predict / Compounds / SCHEMBL4046887

SCHEMBL4046887

SCHEMBL4046887

Cc1cc(C)cc(Nc2nc(N)n(-c3nccs3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.47
▸ ZAP70 P43403 6/20 0.47
▸ SYK P43405 6/20 0.47
▸ KDR P35968 3/20 0.43
▸ AXL P30530 1/20 0.41
▸ FLT3 P36888 6/20 0.40
▸ KIT P10721 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CDK2 P24941 5/20 0.38
▸ PTK2 Q05397 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34

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
SCHEMBL4043372 0.84 ZAP70 (0.50) SRCZAP70SYKAXLFLT3
SCHEMBL4038482 0.81 SRC (0.44) SRCZAP70SYKKDRAXL
SCHEMBL4036697 0.80 SRC (0.41) SRCZAP70SYKKDRHTT
SCHEMBL4041768 0.80 SRC (0.46) SRCZAP70SYKKDRAXL
SCHEMBL4037206 0.79 FLT3 (0.46) AXLFLT3KITAURKAJAK2
SCHEMBL4044502 0.79 FLT3 (0.65) KDRAXLFLT3KITAURKA
SCHEMBL4046539 0.78 CYP1A1 (0.49) SYKAXLFLT3KITAURKA
SCHEMBL4039114 0.77 SRC (0.56) SRCZAP70SYKKDRAXL
SCHEMBL4038754 0.76 FLT3 (0.53) KDRAXLFLT3KITAURKA
SCHEMBL12779023 0.76 MAPK1 (0.36) FLT3KITAURKAIRAK4CDK2

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.