SCHEMBL5353328

SCHEMBL5353328

CC(C)N(C)Cc1csc(NC(=O)Nc2cc(C(F)(F)F)ccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 9/20 0.44
▸ AR P10275 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ NEK4 P51957 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ HIPK4 Q8NE63 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ MAP4K5 Q9Y4K4 1/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ RIOK2 Q9BVS4 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL5220900 0.83 MAPT (0.54) PDE5AGAAMAPTHTTNPSR1
SCHEMBL5214312 0.83 MAPT (0.50) MAPTHTT
SCHEMBL5216244 0.80 GSK3A (0.42) IDH2KDRCLK2MAP4K2HIPK4
SCHEMBL5219232 0.77 MAPT (0.45) L3MBTL1MAPTHTT
SCHEMBL5328567 0.77 MAPT (0.46) KDRMAPT
SCHEMBL5219268 0.77 BLM (0.49) IDH2ARKDRHIPK4MAPT
SCHEMBL5218672 0.76 KDR (0.53) KDR
SCHEMBL5219012 0.75 L3MBTL1 (0.45) L3MBTL1MAPTHTT
Trifluoroacetic Acid SCHEMBL5359387 0.74 MAPT (0.50) KDRALDH1A1L3MBTL1MAPTHTT
SCHEMBL5222328 0.74 BLM (0.52) ARMAPT

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
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — US claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 IDH2 2120/4885AR 1441/4885KDR 3738/4885

“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.

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