Sugi Predict

Sugi Predict / Compounds / SCHEMBL4047231

SCHEMBL4047231

SCHEMBL4047231

CCCNc1nc(Nc2ccccc2)cc(-n2nc(Nc3ccccc3)nc2N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.44
▸ FLT3 P36888 9/20 0.43
▸ KIT P10721 6/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ AURKA O14965 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ AXL P30530 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL4037535 0.91 FLT3 (0.44) FLT3KITKDM4ELMNAMAPT
SCHEMBL4046957 0.90 KCNH3 (0.45) KCNH3FLT3KITAURKAIRAK4
SCHEMBL4036883 0.85 FLT3 (0.47) FLT3KITLMNAAURKAIRAK4
SCHEMBL2086901 0.81 FLT3 (0.47) FLT3KITLMNAMAPTAURKA
SCHEMBL4037367 0.81 FLT3 (0.45) KCNH3FLT3KITAURKAIRAK4
SCHEMBL2089892 0.79 FLT3 (0.42) FLT3KITSMN1; SMN2AURKAIRAK4
SCHEMBL4036582 0.79 FLT3 (0.47) FLT3KITLMNAAURKAIRAK4
SCHEMBL2086601 0.78 FLT3 (0.45) FLT3KITLMNAMAPTSMN1; SMN2
SCHEMBL2087084 0.78 FLT3 (0.52) FLT3KITAURKAIRAK4AXL
SCHEMBL4040465 0.77 LMNA (0.50) FLT3KITKDM4ELMNAMAPT

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 KCNH3 1499/4885FLT3 220/4885KIT 1144/4885

“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.