Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041532

SCHEMBL4041532

SCHEMBL4041532

CCN(CC)c1ccc(Nc2nc(N)n(-c3ccc4ccccc4n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.47
▸ FLT3 P36888 6/20 0.47
▸ KIT P10721 4/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BACE1 P56817 7/20 0.41
▸ AURKA O14965 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ AXL P30530 7/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 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
SCHEMBL4044428 0.82 FLT3 (0.69) NPY5RFLT3KITAURKAJAK2
SCHEMBL4040196 0.82 FLT3 (0.48) NPY5RFLT3KITKDM1AMAPT
SCHEMBL4043603 0.82 FLT3 (0.57) NPY5RFLT3KITKDM1AMAPT
SCHEMBL4036203 0.79 AXL (0.52) NPY5RFLT3KITBACE1AURKA
SCHEMBL4040507 0.79 BACE1 (0.58) NPY5RFLT3KITKDM1AMAPT
SCHEMBL4036626 0.78 BACE1 (0.45) FLT3KITMAPTSMN1; SMN2BACE1
SCHEMBL12779052 0.78 MAPK1 (0.42) FLT3KITMAPTALDH1A1LMNA
SCHEMBL4037300 0.77 FLT3 (0.64) FLT3KITAURKAJAK2IRAK4
SCHEMBL12780244 0.77 FLT3 (0.48) NPY5RFLT3KITKDM1AMAPT
SCHEMBL4041588 0.76 FLT3 (0.70) FLT3KITALDH1A1SMN1; SMN2AURKA

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 NPY5R 3877/4885FLT3 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.