Sugi Predict

Sugi Predict / Compounds / SCHEMBL6814633

SCHEMBL6814633

SCHEMBL6814633

O=C(Nc1ccc(NC(=S)Nc2ccc3[nH]ncc3c2)cc1)c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.71
▸ NPC1 O15118 9/20 0.71
▸ HPGD P15428 2/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ JAK2 O60674 4/20 0.65
▸ JAK1 P23458 3/20 0.65
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ MAOB P27338 2/20 0.60
▸ ROCK2 O75116 3/20 0.58
▸ ROCK1 Q13464 3/20 0.58
▸ DYRK3 O43781 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ RPS6KB1 P23443 1/20 0.57
▸ CLK2 P49760 1/20 0.57
▸ CSNK2A1 P68400 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ MKNK2 Q9HBH9 1/20 0.57

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
SCHEMBL15764656 0.93 NPC1 (0.81) RAB9ANPC1HPGDSMN1; SMN2JAK2
SCHEMBL6814643 0.83 NPC1 (0.64) RAB9ANPC1HPGDSMN1; SMN2JAK2
SCHEMBL7261149 0.81 NPC1 (0.68) RAB9ANPC1HPGDSMN1; SMN2JAK2
SCHEMBL25131975 0.80 NPC1 (0.75) RAB9ANPC1HPGDSMN1; SMN2JAK2
SCHEMBL15764657 0.79 JAK2 (1.00) RAB9ANPC1HPGDJAK2JAK1
SCHEMBL15764662 0.79 NPC1 (1.00) RAB9ANPC1HPGDSMN1; SMN2JAK2
SCHEMBL6814946 0.78 MAPT (0.54) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL16888856 0.78 NPC1 (0.64) RAB9ANPC1HPGDSMN1; SMN2JAK2
SCHEMBL7157617 0.78 RAB9A (0.59) RAB9ANPC1HPGDJAK2JAK1
SCHEMBL6815224 0.78 QPCT (0.54) RAB9ANPC1HPGDSMN1; SMN2MAPT

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 — — US claimed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 — — CN claimed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 — — EP claimed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 — — US claimed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO claimed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups — 2004-09-08 — — CN disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 — — EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 — — EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 — — US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 — — US disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 — — EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 — — EP disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 — — US disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO 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-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 RAB9A 732/4885NPC1 1212/4885HPGD 3878/4885

“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.