Sugi Predict

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SCHEMBL4044407

SCHEMBL4044407

CN1CCN(c2ccc(Nc3nc(N)n(-c4ccccc4)n3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.74
▸ AXL P30530 3/20 0.56
▸ INSR P06213 2/20 0.56
▸ KDR P35968 2/20 0.56
▸ KIT P10721 2/20 0.56
▸ ADRA2A P08913 2/20 0.54
▸ ADRA2B P18089 2/20 0.54
▸ ADRA2C P18825 2/20 0.54
▸ KDM1A O60341 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ SLC2A1 P11166 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ JAK2 O60674 3/20 0.54
▸ ALK Q9UM73 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ PTK2 Q05397 2/20 0.54
▸ ADRB2 P07550 1/20 0.52
▸ CHRM2 P08172 1/20 0.52

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
SCHEMBL4036045 0.88 FLT3 (0.58) FLT3AXLKDRKITGLA
SCHEMBL4042120 0.86 FLT3 (0.73) FLT3AXLKITKDM1AJAK2
SCHEMBL4044553 0.85 FLT3 (1.00) FLT3AXLINSRKDRKIT
SCHEMBL30299327 0.85 FLT3 (1.00) FLT3AXLINSRKDRKIT
SCHEMBL29927675 0.82 AXL (0.80) FLT3AXLINSRKDRKIT
SCHEMBL4994495 0.82 AXL (0.80) FLT3AXLINSRKDRKIT
SCHEMBL4047768 0.81 FLT3 (0.64) FLT3GLAJAK2JAK3
SCHEMBL4038503 0.78 BACE1 (0.67) FLT3AXLINSRKDRKIT
SCHEMBL1331338 0.78 FLT3 (0.55) FLT3AXLINSRKDRKIT
SCHEMBL4992904 0.78 FLT3 (0.63) FLT3AXLINSRKDRKIT

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 FLT3 220/4885AXL 762/4885INSR 1646/4885

“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.