SCHEMBL525057

SCHEMBL525057

CCOC(=O)c1csc(Nc2ccccn2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 4/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 5/20 0.54
HSP90AA1 P07900 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.53
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MECP2 P51608 1/20 0.50

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
SCHEMBL14742578 0.83 CYP1A2 (0.56) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4789312 0.82 SMN1; SMN2 (0.69) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2657168 0.81 CYP1A2 (0.54) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL525388 0.81 EGFR (0.58) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL525588 0.80 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL5216256 0.80 EGFR (0.54) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10464759 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8062334 0.79 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL18006550 0.79 MECP2 (0.57) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL31507493 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19

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
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 US disclosed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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 (2 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 RAB9A 1440/4885NPC1 987/4885SMN1; SMN2 3186/4885
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 RAB9A 4547/4885NPC1 205/4885SMN1; SMN2 3066/4885

“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.