Sugi Predict

Sugi Predict / Compounds / SCHEMBL4037535

SCHEMBL4037535

SCHEMBL4037535

CCNc1nc(Nc2ccccc2)cc(-n2nc(Nc3ccccc3)nc2N)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.44
▸ KIT P10721 6/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ AURKA O14965 2/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ AXL P30530 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ KCNH2 Q12809 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RPS27 P42677 1/20 0.38
▸ MAPK8 P45983 1/20 0.38

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
SCHEMBL4047231 0.91 KCNH3 (0.44) FLT3KITKDM4ELMNAMAPT
SCHEMBL4037367 0.89 FLT3 (0.45) FLT3KITAURKAIRAK4AXL
SCHEMBL4036883 0.87 FLT3 (0.47) FLT3KITLMNAAURKAIRAK4
SCHEMBL2086901 0.83 FLT3 (0.47) FLT3KITLMNAMAPTAURKA
SCHEMBL2089892 0.81 FLT3 (0.42) FLT3KITSMN1; SMN2AURKAIRAK4
SCHEMBL4036582 0.81 FLT3 (0.47) FLT3KITLMNAAURKAIRAK4
SCHEMBL4046957 0.81 KCNH3 (0.45) FLT3KITAURKAIRAK4AXL
SCHEMBL2086601 0.80 FLT3 (0.45) FLT3KITLMNAMAPTSMN1; SMN2
SCHEMBL2087084 0.80 FLT3 (0.52) FLT3KITAURKAIRAK4AXL
SCHEMBL4040465 0.79 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 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-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 — — 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 1144/4885KDM4E 1531/4885

“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.