Sugi Predict

Sugi Predict / Compounds / SCHEMBL4043348

SCHEMBL4043348

SCHEMBL4043348

Cc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)nc(C)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.47
▸ KIT P10721 3/20 0.47
▸ SLC2A1 P11166 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ KCNH3 Q9ULD8 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AXL P30530 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40

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) FLT3KITPOLBAURKAJAK2
SCHEMBL4037526 0.91 FLT3 (0.47) FLT3KITPOLBAURKAJAK2
SCHEMBL4040465 0.91 LMNA (0.50) FLT3KITSLC2A1POLBAURKA
SCHEMBL4036308 0.87 JAK2 (0.48) FLT3KITAURKAJAK2IRAK4
SCHEMBL12779928 0.87 MAPT (0.55) FLT3KITPOLBAURKAJAK2
SCHEMBL12780289 0.86 FLT3 (0.49) FLT3KITSLC2A1POLBKCNH3
SCHEMBL4043077 0.85 FLT3 (0.45) FLT3KITAURKAJAK2IRAK4
SCHEMBL4047577 0.83 FLT3 (0.42) FLT3KITAURKAJAK2IRAK4
SCHEMBL12781962 0.82 FLT3 (0.48) FLT3KITPOLBAURKAJAK2
SCHEMBL12779081 0.82 FLT3 (0.48) FLT3KITPOLBAURKAJAK2

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 8 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
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 1144/4885SLC2A1 3915/4885

“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.