SCHEMBL5216244

SCHEMBL5216244

CC(C)N(C)Cc1csc(NC(=O)Nc2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 10/20 0.42
▸ GSK3B P49841 10/20 0.42
▸ SRPK1 Q96SB4 5/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ CLK4 Q9HAZ1 14/20 0.41
▸ ACVR1 Q04771 12/20 0.41
▸ CDK8 P49336 6/20 0.41
▸ MST1R Q04912 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ STK3 Q13188 5/20 0.41
▸ AURKB Q96GD4 5/20 0.41
▸ HIPK4 Q8NE63 5/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ PIM3 Q86V86 4/20 0.41
▸ RPS6KA3 P51812 3/20 0.41
▸ FLT3 P36888 3/20 0.41

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 0.81 MAPT (0.54) MAPT
SCHEMBL5214312 0.81 MAPT (0.50) MAPT
SCHEMBL5353328 0.80 IDH2 (0.44) SRPK1CLK4HIPK4MAP4K5CLK2
SCHEMBL5219268 0.77 BLM (0.49) CDK8KITAURKBHIPK4FLT3
SCHEMBL5328567 0.77 MAPT (0.46) CDK8MAPTKDRFLT1
Trifluoroacetic Acid SCHEMBL5359387 0.76 MAPT (0.50) MAPTKDR
SCHEMBL5218672 0.76 KDR (0.53) KDR
SCHEMBL5219334 0.76 MEN1 (0.48) MAPTKDR
SCHEMBL5215989 0.76 MAPT (0.63) CDK8AURKBPIM1MAPTKDR
SCHEMBL5219298 0.76 MAPT (0.50) MAPTKDR

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 9 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
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 — — EP claimed
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 — — WO 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 GSK3A 3536/4885GSK3B 3574/4885SRPK1 2421/4885

“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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